1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

C42H89N5 — CID 158423462

IUPAC1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyHATNIHWMHNSGAY-UHFFFAOYSA-N
MW664.21 g/mol
LogP8.89
Rot. Bonds5

About 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 158423462) has the molecular formula C42H89N5 and a molecular weight of 664.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
PubChem CID158423462
Molecular FormulaC42H89N5
Molecular Weight664.21 g/mol
Exact Mass663.71
IUPAC Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyHATNIHWMHNSGAY-UHFFFAOYSA-N
XLogP8.89
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.21
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-fluoro-1,4-di(propan-2-yl)piperidine
CID 165018625
10-(2,8-Dimethyl-2,8-diazaspiro[4.5]decan-4-yl)-9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 91538992
4-[1,3-Bis[1-hexyl-2,6-di(propan-2-yl)piperidin-4-yl]propyl]-1-hexyl-2,6-di(propan-2-yl)piperidine
CID 121244691
8-Propan-2-yl-3-[5-(3-propan-2-yl-6-azabicyclo[3.1.1]heptan-6-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 132248356
4-[2-(1,3-Dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
CID 138751927
1-Methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
CID 142123454
1-tert-butyl-4-[[4-[5-[(3S)-3-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-1-yl]methyl]piperidine
CID 156551545
3-(3-Methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
CID 157104981
Methane;1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157230415
3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157363951
1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
CID 157370694
3,5-Dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157508862

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine (CID 158423462) is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is HATNIHWMHNSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 664.21 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 158423462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).