(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine

C19H33N — CID 134567134

IUPAC(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine
SMILESC/C=C(NCC1(/C(C)=C/C)CCCCC1)/C(C)=C/CC
InChIInChI=1S/C19H33N/c1-6-12-16(4)18(8-3)20-15-19(17(5)7-2)13-10-9-11-14-19/h7-8,12,20H,6,9-11,13-15H2,1-5H3/b16-12+,17-7+,18-8-
InChIKeyPDFCEBXUEHCSBV-KWICPTPOSA-N
MW275.48 g/mol
LogP5.75
Rot. Bonds6

About (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine

(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine (PubChem CID 134567134) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine
PubChem CID134567134
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine
SMILESC/C=C(NCC1(/C(C)=C/C)CCCCC1)/C(C)=C/CC
InChIInChI=1S/C19H33N/c1-6-12-16(4)18(8-3)20-15-19(17(5)7-2)13-10-9-11-14-19/h7-8,12,20H,6,9-11,13-15H2,1-5H3/b16-12+,17-7+,18-8-
InChIKeyPDFCEBXUEHCSBV-KWICPTPOSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine (CID 134567134) is (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine is C/C=C(NCC1(/C(C)=C/C)CCCCC1)/C(C)=C/CC.
What is the InChIKey of (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine?
The InChIKey is PDFCEBXUEHCSBV-KWICPTPOSA-N. The full InChI is InChI=1S/C19H33N/c1-6-12-16(4)18(8-3)20-15-19(17(5)7-2)13-10-9-11-14-19/h7-8,12,20H,6,9-11,13-15H2,1-5H3/b16-12+,17-7+,18-8-.
What are the key properties of (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine?
(2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine has a molecular weight of 275.48 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[[1-[(E)-but-2-en-2-yl]cyclohexyl]methyl]-4-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 134567134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).