1-(1-methylcyclohexyl)ethanamine

C9H19N — CID 21421303

IUPAC1-(1-methylcyclohexyl)ethanamine
SMILESCC(N)C1(C)CCCCC1
InChIInChI=1S/C9H19N/c1-8(10)9(2)6-4-3-5-7-9/h8H,3-7,10H2,1-2H3
InChIKeyVZQYSLQGEVNWHD-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.30
Rot. Bonds1

About 1-(1-methylcyclohexyl)ethanamine

1-(1-methylcyclohexyl)ethanamine (PubChem CID 21421303) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)ethanamine
PubChem CID21421303
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-(1-methylcyclohexyl)ethanamine
SMILESCC(N)C1(C)CCCCC1
InChIInChI=1S/C9H19N/c1-8(10)9(2)6-4-3-5-7-9/h8H,3-7,10H2,1-2H3
InChIKeyVZQYSLQGEVNWHD-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 1-(1-methylcyclohexyl)ethanamine (CID 21421303) is 1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclohexyl)ethanamine is CC(N)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)ethanamine?
The InChIKey is VZQYSLQGEVNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(10)9(2)6-4-3-5-7-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexyl)ethanamine?
1-(1-methylcyclohexyl)ethanamine has a molecular weight of 141.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 21421303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).