cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine

C9H21N — CID 142167756

IUPACcis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
SMILESCN.C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16.CH5N/c1-7-5-3-4-6-8(7)2;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3/t7-,8+;
InChIKeyHUSAXBHIIXJTSP-KVZVIFLMSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds

About cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine

cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine (PubChem CID 142167756) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
PubChem CID142167756
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Namecis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
SMILESCN.C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16.CH5N/c1-7-5-3-4-6-8(7)2;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3/t7-,8+;
InChIKeyHUSAXBHIIXJTSP-KVZVIFLMSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine?
The IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine (CID 142167756) is cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine.
What is the SMILES notation for cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine?
The canonical SMILES for cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine is CN.C[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine?
The InChIKey is HUSAXBHIIXJTSP-KVZVIFLMSA-N. The full InChI is InChI=1S/C8H16.CH5N/c1-7-5-3-4-6-8(7)2;1-2/h7-8H,3-6H2,1-2H3;2H2,1H3/t7-,8+;.
What are the key properties of cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine?
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine is sourced from PubChem (CID 142167756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).