cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine

C7H16N2 — CID 55284519

IUPACcis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2/c1-9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyUZFSSDLWBZWJRU-RQJHMYQMSA-N
MW128.22 g/mol
LogP0.48
Rot. Bonds1

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

cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 55284519) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
PubChem CID55284519
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namecis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2/c1-9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyUZFSSDLWBZWJRU-RQJHMYQMSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
CID 89035848
2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine
CID 144602464
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
[(1R,2R)-2-aminocyclohexyl]methanol;[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 169429799
trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine
CID 138625966
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
1-N-ethylcyclononane-1,2-diamine
CID 123480411
2-(methylamino)cycloheptane-1-thiol
CID 59815948
1-N-cyclopentylcycloheptane-1,2-diamine
CID 82933043
cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine
CID 138599630
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine (CID 55284519) is cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine is CN[C@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is UZFSSDLWBZWJRU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2/c1-9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 55284519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).