(1S)-1-cyclohexyl-N-methylethanamine

C9H19N — CID 15194969

IUPAC(1S)-1-cyclohexyl-N-methylethanamine
SMILESCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C9H19N/c1-8(10-2)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHMJRHWDZXQWZRU-QMMMGPOBSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds2

About (1S)-1-cyclohexyl-N-methylethanamine

(1S)-1-cyclohexyl-N-methylethanamine (PubChem CID 15194969) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-methylethanamine
PubChem CID15194969
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(1S)-1-cyclohexyl-N-methylethanamine
SMILESCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C9H19N/c1-8(10-2)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHMJRHWDZXQWZRU-QMMMGPOBSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-methylethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-methylethanamine (CID 15194969) is (1S)-1-cyclohexyl-N-methylethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-methylethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-methylethanamine is CN[C@@H](C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-methylethanamine?
The InChIKey is HMJRHWDZXQWZRU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-8(10-2)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-methylethanamine?
(1S)-1-cyclohexyl-N-methylethanamine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 15194969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).