(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine

C13H25N — CID 90296458

IUPAC(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine
SMILESC/C=C1\CCCC(CCCC)C1NC
InChIInChI=1S/C13H25N/c1-4-6-8-12-10-7-9-11(5-2)13(12)14-3/h5,12-14H,4,6-10H2,1-3H3/b11-5+
InChIKeyDXKAUXVBXVUVIO-VZUCSPMQSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds4

About (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine

(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine (PubChem CID 90296458) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine
PubChem CID90296458
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine
SMILESC/C=C1\CCCC(CCCC)C1NC
InChIInChI=1S/C13H25N/c1-4-6-8-12-10-7-9-11(5-2)13(12)14-3/h5,12-14H,4,6-10H2,1-3H3/b11-5+
InChIKeyDXKAUXVBXVUVIO-VZUCSPMQSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine?
The IUPAC name of (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine (CID 90296458) is (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine.
What is the SMILES notation for (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine?
The canonical SMILES for (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine is C/C=C1\CCCC(CCCC)C1NC.
What is the InChIKey of (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine?
The InChIKey is DXKAUXVBXVUVIO-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H25N/c1-4-6-8-12-10-7-9-11(5-2)13(12)14-3/h5,12-14H,4,6-10H2,1-3H3/b11-5+.
What are the key properties of (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine?
(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine is sourced from PubChem (CID 90296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).