4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

C14H25N3O — CID 79526805

IUPAC4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)17(9-3-8-15)14(18)13-6-4-12(10-16)5-7-13/h11-13H,3-7,9-10,16H2,1-2H3
InChIKeyZTVIFPDSCFDDPD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds5

About 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 79526805) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID79526805
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)17(9-3-8-15)14(18)13-6-4-12(10-16)5-7-13/h11-13H,3-7,9-10,16H2,1-2H3
InChIKeyZTVIFPDSCFDDPD-UHFFFAOYSA-N
XLogP1.90
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide 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

4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877
N-(2-cyanoethyl)-N-propan-2-ylthiane-2-carboxamide
CID 80593789
N-(2-cyanoethyl)-3-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81449650
N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 54996543
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 79511403

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 79526805) is 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CCC#N)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZTVIFPDSCFDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17(9-3-8-15)14(18)13-6-4-12(10-16)5-7-13/h11-13H,3-7,9-10,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 79526805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).