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

C83H180F2N16 — CID 163644876

IUPAC3,3-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
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CN(C)C1.CCC1CCN(C(C)C)C1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.2C9H20N2.3C9H19N.2C8H18N2.C6H11F2N.C6H14N2/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-10(6-9)8(3)4;1-8(2)9-4-6-10(3)7-5-9;1-4-9-5-6-10(7-9)8(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-5(2)9-3-6(7,8)4-9;1-6(2)8-4-7(3)5-8/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyIHJYMPJRBMSZJP-UHFFFAOYSA-N
MW1440.46 g/mol
LogP12.76
Rot. Bonds15

About 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

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 (PubChem CID 163644876) has the molecular formula C83H180F2N16 and a molecular weight of 1440.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID163644876
Molecular FormulaC83H180F2N16
Molecular Weight1440.46 g/mol
Exact Mass1439.45
IUPAC Name3,3-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
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CN(C)C1.CCC1CCN(C(C)C)C1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.2C9H20N2.3C9H19N.2C8H18N2.C6H11F2N.C6H14N2/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-10(6-9)8(3)4;1-8(2)9-4-6-10(3)7-5-9;1-4-9-5-6-10(7-9)8(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-5(2)9-3-6(7,8)4-9;1-6(2)8-4-7(3)5-8/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyIHJYMPJRBMSZJP-UHFFFAOYSA-N
XLogP12.76
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001440.46
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
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-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 167708306

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCN(C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC(F)(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CN(C)C1.CCC1CCN(C(C)C)C1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is IHJYMPJRBMSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2C9H20N2.3C9H19N.2C8H18N2.C6H11F2N.C6H14N2/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-10(6-9)8(3)4;1-8(2)9-4-6-10(3)7-5-9;1-4-9-5-6-10(7-9)8(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-5(2)9-3-6(7,8)4-9;1-6(2)8-4-7(3)5-8/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1440.46 g/mol, XLogP of 12.76, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163644876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).