cis-(1R,2S)-4-methylcyclohexane-1,2-diamine

C7H16N2 — CID 101451140

IUPACcis-(1R,2S)-4-methylcyclohexane-1,2-diamine
SMILESCC1CC[C@@H](N)[C@@H](N)C1
InChIInChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3/t5?,6-,7+/m1/s1
InChIKeyKKYGOXSPNXROTG-FWPZAIACSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds

About cis-(1R,2S)-4-methylcyclohexane-1,2-diamine

cis-(1R,2S)-4-methylcyclohexane-1,2-diamine (PubChem CID 101451140) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1R,2S)-4-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-4-methylcyclohexane-1,2-diamine
PubChem CID101451140
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namecis-(1R,2S)-4-methylcyclohexane-1,2-diamine
SMILESCC1CC[C@@H](N)[C@@H](N)C1
InChIInChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3/t5?,6-,7+/m1/s1
InChIKeyKKYGOXSPNXROTG-FWPZAIACSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylcyclohexane-1,2-diamine;sulfuric acid
CID 11528700
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
2,4-dimethylcyclohexan-1-amine
CID 14675373
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
2-iodo-4-methylcyclohexan-1-amine
CID 163524307
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(1R)-3-methylcyclopentan-1-amine
CID 58346799
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
CID 174795917

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-4-methylcyclohexane-1,2-diamine (CID 101451140) is cis-(1R,2S)-4-methylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-4-methylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-4-methylcyclohexane-1,2-diamine is CC1CC[C@@H](N)[C@@H](N)C1.
What is the InChIKey of cis-(1R,2S)-4-methylcyclohexane-1,2-diamine?
The InChIKey is KKYGOXSPNXROTG-FWPZAIACSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3/t5?,6-,7+/m1/s1.
What are the key properties of cis-(1R,2S)-4-methylcyclohexane-1,2-diamine?
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 101451140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).