1-(3-methylcyclohexyl)ethenamine

C9H17N — CID 154473758

IUPAC1-(3-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CCCC(C)C1
InChIInChI=1S/C9H17N/c1-7-4-3-5-9(6-7)8(2)10/h7,9H,2-6,10H2,1H3
InChIKeyVYQXKHGUNSRUIE-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.29
Rot. Bonds1

About 1-(3-methylcyclohexyl)ethenamine

1-(3-methylcyclohexyl)ethenamine (PubChem CID 154473758) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)ethenamine
PubChem CID154473758
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(3-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CCCC(C)C1
InChIInChI=1S/C9H17N/c1-7-4-3-5-9(6-7)8(2)10/h7,9H,2-6,10H2,1H3
InChIKeyVYQXKHGUNSRUIE-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)ethenamine?
The IUPAC name of 1-(3-methylcyclohexyl)ethenamine (CID 154473758) is 1-(3-methylcyclohexyl)ethenamine.
What is the SMILES notation for 1-(3-methylcyclohexyl)ethenamine?
The canonical SMILES for 1-(3-methylcyclohexyl)ethenamine is C=C(N)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)ethenamine?
The InChIKey is VYQXKHGUNSRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-4-3-5-9(6-7)8(2)10/h7,9H,2-6,10H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)ethenamine?
1-(3-methylcyclohexyl)ethenamine has a molecular weight of 139.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)ethenamine is sourced from PubChem (CID 154473758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).