cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

C11H22N2 — CID 97170112

IUPACcis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N(C)C1CC1
InChIInChI=1S/C11H22N2/c1-12-10-5-3-4-6-11(10)13(2)9-7-8-9/h9-12H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyAJKJKFGZIKLHKS-WDEREUQCSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds3

About cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 97170112) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID97170112
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namecis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N(C)C1CC1
InChIInChI=1S/C11H22N2/c1-12-10-5-3-4-6-11(10)13(2)9-7-8-9/h9-12H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyAJKJKFGZIKLHKS-WDEREUQCSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62547117
2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395
4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122769
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 97170112) is cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN[C@H]1CCCC[C@H]1N(C)C1CC1.
What is the InChIKey of cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is AJKJKFGZIKLHKS-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-10-5-3-4-6-11(10)13(2)9-7-8-9/h9-12H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 97170112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).