1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine

C79H186F6N10 — CID 158043701

IUPAC1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
SMILESC.C.C.C.C.C.C.C.C.CC1CCCN(C(C)C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C(C)C)C1.CC1CN(C)C1.CCN1CC(C)C1.CCN1CCC(C)C1.CCN1CCC(C)CC1.CCN1CCCC(C)C1.FF.FF.FF
InChIInChI=1S/C9H19N.2C8H17N.4C7H15N.2C6H13N.C5H11N.9CH4.3F2/c1-8(2)10-6-4-5-9(3)7-10;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-6(2)8-4-7(3)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-8-5-4-7(2)6-8;1-6-3-4-7(2)5-6;1-3-7-4-6(2)5-7;1-5-3-6(2)4-5;;;;;;;;;;3*1-2/h8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;9*1H4;;;
InChIKeyFIQTYXMLIACBLR-UHFFFAOYSA-N
MW1390.41 g/mol
LogP21.72
Rot. Bonds6

About 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine

1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine (PubChem CID 158043701) has the molecular formula C79H186F6N10 and a molecular weight of 1390.41 g/mol. Its IUPAC name is 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine.

Molecular Properties

Compound Name1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
PubChem CID158043701
Molecular FormulaC79H186F6N10
Molecular Weight1390.41 g/mol
Exact Mass1389.48
IUPAC Name1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
SMILESC.C.C.C.C.C.C.C.C.CC1CCCN(C(C)C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C(C)C)C1.CC1CN(C)C1.CCN1CC(C)C1.CCN1CCC(C)C1.CCN1CCC(C)CC1.CCN1CCCC(C)C1.FF.FF.FF
InChIInChI=1S/C9H19N.2C8H17N.4C7H15N.2C6H13N.C5H11N.9CH4.3F2/c1-8(2)10-6-4-5-9(3)7-10;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-6(2)8-4-7(3)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-8-5-4-7(2)6-8;1-6-3-4-7(2)5-6;1-3-7-4-6(2)5-7;1-5-3-6(2)4-5;;;;;;;;;;3*1-2/h8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;9*1H4;;;
InChIKeyFIQTYXMLIACBLR-UHFFFAOYSA-N
XLogP21.72
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.41
LogP ≤ 521.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine with MolForge

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Related Compounds

3,3-Difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 159093463
3,3-Difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 159974923
3,3-difluoro-1-propan-2-ylazetidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-yl-1,3-diazetidine;bis(1-methyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperidine
CID 163644876
Bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
CID 164981437
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane
CID 159633091
N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-methyl-3-propan-2-yl-1,3-diazetidine;bis(1-methyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperidine
CID 160127137
3-Fluoro-3-methyl-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 160310205
1-(5-Methylhexyl)azetidine;bis(1-(5-methylhexyl)piperidine);1-(5-methylhexyl)pyrrolidine;1-(4-methylpentyl)azetidine;bis(1-(4-methylpentyl)piperidine);1-(4-methylpentyl)pyrrolidine
CID 160378862
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;4-tert-butyl-1-[2-(1-tert-butylazetidin-3-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 161168269
8-Tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;bis(2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane);2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;bis(3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane)
CID 164953094
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;4-tert-butyl-1-[2-(1-tert-butylazetidin-3-yl)ethyl]piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167547971

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine?
The IUPAC name of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine (CID 158043701) is 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine.
What is the SMILES notation for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine?
The canonical SMILES for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine is C.C.C.C.C.C.C.C.C.CC1CCCN(C(C)C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C(C)C)C1.CC1CN(C)C1.CCN1CC(C)C1.CCN1CCC(C)C1.CCN1CCC(C)CC1.CCN1CCCC(C)C1.FF.FF.FF.
What is the InChIKey of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine?
The InChIKey is FIQTYXMLIACBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C8H17N.4C7H15N.2C6H13N.C5H11N.9CH4.3F2/c1-8(2)10-6-4-5-9(3)7-10;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;1-6(2)8-4-7(3)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-8-5-4-7(2)6-8;1-6-3-4-7(2)5-6;1-3-7-4-6(2)5-7;1-5-3-6(2)4-5;;;;;;;;;;3*1-2/h8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;9*1H4;;;.
What are the key properties of 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine?
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine has a molecular weight of 1390.41 g/mol, XLogP of 21.72, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine is sourced from PubChem (CID 158043701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).