(1S)-1-cyclohexylethanamine

C8H17N — CID 5325951

IUPAC(1S)-1-cyclohexylethanamine
SMILESC[C@H](N)C1CCCCC1
InChIInChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyXBWOPGDJMAJJDG-ZETCQYMHSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds1

About (1S)-1-cyclohexylethanamine

(1S)-1-cyclohexylethanamine (PubChem CID 5325951) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (1S)-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexylethanamine
PubChem CID5325951
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(1S)-1-cyclohexylethanamine
SMILESC[C@H](N)C1CCCCC1
InChIInChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyXBWOPGDJMAJJDG-ZETCQYMHSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propylhexedrine
CID 7558
4,4'-Diaminodicyclohexylmethane
CID 15660
1,3-Dimethylamylamine
CID 7753
Octodrine
CID 10982
4-Methylcyclohexylamine
CID 80604
2-Ethylhexylamine
CID 7719
Cyclohexaneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 102541
2-Cyclohexylethylamine
CID 20509
4-tert-Butylcyclohexylamine
CID 79396
2-Cyclohexylethanamine hydrochloride
CID 200008
1-Cyclohexylethan-1-amine hydrochloride
CID 214023
N-(2-Ethylhexyl)cyclohexanamine
CID 221524

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexylethanamine?
The IUPAC name of (1S)-1-cyclohexylethanamine (CID 5325951) is (1S)-1-cyclohexylethanamine.
What is the SMILES notation for (1S)-1-cyclohexylethanamine?
The canonical SMILES for (1S)-1-cyclohexylethanamine is C[C@H](N)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexylethanamine?
The InChIKey is XBWOPGDJMAJJDG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-cyclohexylethanamine?
(1S)-1-cyclohexylethanamine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexylethanamine is sourced from PubChem (CID 5325951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).