4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile

C18H27N3 — CID 43201843

IUPAC4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
SMILESCC(NCC1(N(C)C)CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C18H27N3/c1-15(17-9-7-16(13-19)8-10-17)20-14-18(21(2)3)11-5-4-6-12-18/h7-10,15,20H,4-6,11-12,14H2,1-3H3
InChIKeyCDWFBSLHKRLLRF-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.47
Rot. Bonds5

About 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile

4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile (PubChem CID 43201843) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
PubChem CID43201843
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
SMILESCC(NCC1(N(C)C)CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C18H27N3/c1-15(17-9-7-16(13-19)8-10-17)20-14-18(21(2)3)11-5-4-6-12-18/h7-10,15,20H,4-6,11-12,14H2,1-3H3
InChIKeyCDWFBSLHKRLLRF-UHFFFAOYSA-N
XLogP3.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile 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

N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
CID 55097943
1-[[1-(furan-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43201850
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
CID 23087108
4-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]benzonitrile
CID 103921220
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile (CID 43201843) is 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile is CC(NCC1(N(C)C)CCCCC1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile?
The InChIKey is CDWFBSLHKRLLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-15(17-9-7-16(13-19)8-10-17)20-14-18(21(2)3)11-5-4-6-12-18/h7-10,15,20H,4-6,11-12,14H2,1-3H3.
What are the key properties of 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile?
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile has a molecular weight of 285.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile is sourced from PubChem (CID 43201843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).