1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine

C12H25ClN2 — CID 91215553

IUPAC1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine
SMILESCC(C)NC1CCCCC1(Cl)NC(C)C
InChIInChI=1S/C12H25ClN2/c1-9(2)14-11-7-5-6-8-12(11,13)15-10(3)4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyDBRPEQZMWWXDMZ-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.86
Rot. Bonds4

About 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine

1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine (PubChem CID 91215553) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine
PubChem CID91215553
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine
SMILESCC(C)NC1CCCCC1(Cl)NC(C)C
InChIInChI=1S/C12H25ClN2/c1-9(2)14-11-7-5-6-8-12(11,13)15-10(3)4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyDBRPEQZMWWXDMZ-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-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

(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
2-N,2-N',3-N-tri(propan-2-yl)-1-silyl-3,4,4a,5,6,7,8,8a-octahydroquinoline-2,2,3-triamine
CID 173001994
2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 79879008
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
CID 79836282
6,6-dichloro-3-methyl-N-propan-2-ylbicyclo[3.1.0]hexan-3-amine
CID 58799873
N-propan-2-ylcycloheptanamine
CID 42562651
(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine
CID 130224974
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
3-[(2,2-dimethylcyclohexyl)amino]butan-1-ol
CID 81338842
N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 164650333
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine (CID 91215553) is 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine is CC(C)NC1CCCCC1(Cl)NC(C)C.
What is the InChIKey of 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is DBRPEQZMWWXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2/c1-9(2)14-11-7-5-6-8-12(11,13)15-10(3)4/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine?
1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 232.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-N,2-N-di(propan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 91215553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).