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

C8H18N2 — CID 7020757

IUPACcis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1NC
InChIInChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8+
InChIKeyJRHPOFJADXHYBR-OCAPTIKFSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds2

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

cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 7020757) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID7020757
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Namecis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCN[C@H]1CCCC[C@H]1NC
InChIInChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8+
InChIKeyJRHPOFJADXHYBR-OCAPTIKFSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 7020757) is cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN[C@H]1CCCC[C@H]1NC.
What is the InChIKey of cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is JRHPOFJADXHYBR-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8+.
What are the key properties of cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 7020757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).