(E)-2-(4-methylcyclohexyl)ethenamine

C9H17N — CID 129060107

IUPAC(E)-2-(4-methylcyclohexyl)ethenamine
SMILESCC1CCC(/C=C/N)CC1
InChIInChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h6-9H,2-5,10H2,1H3/b7-6+
InChIKeyMHOCXMAVVYETSA-VOTSOKGWSA-N
MW139.24 g/mol
LogP2.29
Rot. Bonds1

About (E)-2-(4-methylcyclohexyl)ethenamine

(E)-2-(4-methylcyclohexyl)ethenamine (PubChem CID 129060107) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-2-(4-methylcyclohexyl)ethenamine.

Molecular Properties

Compound Name(E)-2-(4-methylcyclohexyl)ethenamine
PubChem CID129060107
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-2-(4-methylcyclohexyl)ethenamine
SMILESCC1CCC(/C=C/N)CC1
InChIInChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h6-9H,2-5,10H2,1H3/b7-6+
InChIKeyMHOCXMAVVYETSA-VOTSOKGWSA-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 (E)-2-(4-methylcyclohexyl)ethenamine?
The IUPAC name of (E)-2-(4-methylcyclohexyl)ethenamine (CID 129060107) is (E)-2-(4-methylcyclohexyl)ethenamine.
What is the SMILES notation for (E)-2-(4-methylcyclohexyl)ethenamine?
The canonical SMILES for (E)-2-(4-methylcyclohexyl)ethenamine is CC1CCC(/C=C/N)CC1.
What is the InChIKey of (E)-2-(4-methylcyclohexyl)ethenamine?
The InChIKey is MHOCXMAVVYETSA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h6-9H,2-5,10H2,1H3/b7-6+.
What are the key properties of (E)-2-(4-methylcyclohexyl)ethenamine?
(E)-2-(4-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 (E)-2-(4-methylcyclohexyl)ethenamine is sourced from PubChem (CID 129060107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).