3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile

C12H23N3 — CID 78924428

IUPAC3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
SMILESCC(CC#N)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3
InChIKeyFVKBQKBGNHUSMN-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds5

About 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile

3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile (PubChem CID 78924428) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
PubChem CID78924428
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
SMILESCC(CC#N)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3
InChIKeyFVKBQKBGNHUSMN-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylcycloheptyl)methylamino]butanenitrile
CID 115909164
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
CID 83121061
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
CID 43201843
3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
CID 83120864
3-[(1-ethylcyclopropyl)methylamino]butanenitrile
CID 103734809
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83121065
1-[[1-(furan-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43201850
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile (CID 78924428) is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile is CC(CC#N)NCC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The InChIKey is FVKBQKBGNHUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile is sourced from PubChem (CID 78924428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).