2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

C15H32N2 — CID 79828904

IUPAC2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C(C)C)C1CCCC(C)(C)C1NC
InChIInChI=1S/C15H32N2/c1-7-11-17(12(2)3)13-9-8-10-15(4,5)14(13)16-6/h12-14,16H,7-11H2,1-6H3
InChIKeySYDALTCBCKARKL-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.27
Rot. Bonds5

About 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 79828904) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID79828904
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C(C)C)C1CCCC(C)(C)C1NC
InChIInChI=1S/C15H32N2/c1-7-11-17(12(2)3)13-9-8-10-15(4,5)14(13)16-6/h12-14,16H,7-11H2,1-6H3
InChIKeySYDALTCBCKARKL-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine 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-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
1-N-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992323
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
1-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953

Frequently Asked Questions

What is the IUPAC name of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (CID 79828904) is 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is CCCN(C(C)C)C1CCCC(C)(C)C1NC.
What is the InChIKey of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is SYDALTCBCKARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-11-17(12(2)3)13-9-8-10-15(4,5)14(13)16-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).