1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile

C14H27N3 — CID 107449291

IUPAC1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCCC(C#N)(NCCN(C)C)C1
InChIInChI=1S/C14H27N3/c1-12(2)13-6-5-7-14(10-13,11-15)16-8-9-17(3)4/h12-13,16H,5-10H2,1-4H3
InChIKeyYONNLZPRFWMNMM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile

1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 107449291) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID107449291
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCCC(C#N)(NCCN(C)C)C1
InChIInChI=1S/C14H27N3/c1-12(2)13-6-5-7-14(10-13,11-15)16-8-9-17(3)4/h12-13,16H,5-10H2,1-4H3
InChIKeyYONNLZPRFWMNMM-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile 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

1-(3-azidopropylamino)-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449337
1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
CID 65089402
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
4-[2-(dimethylamino)ethylamino]oxepane-4-carbonitrile
CID 65079338
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
1-(3-azidopropylamino)-4-propan-2-ylcycloheptane-1-carbonitrile
CID 66190465
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
1-(2-methoxyethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62704486
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile (CID 107449291) is 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile is CC(C)C1CCCC(C#N)(NCCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is YONNLZPRFWMNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)13-6-5-7-14(10-13,11-15)16-8-9-17(3)4/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile?
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 107449291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).