2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine

C13H29N3 — CID 103188400

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CCCCC1N
InChIInChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14/h11-13H,5-10,14H2,1-4H3
InChIKeyOHBVNKDZUYTEGK-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds5

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine (PubChem CID 103188400) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
PubChem CID103188400
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CCCCC1N
InChIInChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14/h11-13H,5-10,14H2,1-4H3
InChIKeyOHBVNKDZUYTEGK-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-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

2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 103188347
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
CID 103188900
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
CID 103189119
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine (CID 103188400) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine is CCN(C(C)CN(C)C)C1CCCCC1N.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine?
The InChIKey is OHBVNKDZUYTEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-9-7-6-8-12(13)14/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine is sourced from PubChem (CID 103188400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).