(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine

C18H30ClNO — CID 142550004

IUPAC(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
SMILESC/C=C(\C=C/CCl)CN(CCCC)C(/C=C\COC)=C/C
InChIInChI=1S/C18H30ClNO/c1-5-8-14-20(16-17(6-2)11-9-13-19)18(7-3)12-10-15-21-4/h6-7,9-12H,5,8,13-16H2,1-4H3/b11-9-,12-10-,17-6+,18-7+
InChIKeyQNAVBRZAXXAHMG-RQPCUISGSA-N
MW311.90 g/mol
LogP4.94
Rot. Bonds11

About (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine

(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine (PubChem CID 142550004) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
PubChem CID142550004
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
SMILESC/C=C(\C=C/CCl)CN(CCCC)C(/C=C\COC)=C/C
InChIInChI=1S/C18H30ClNO/c1-5-8-14-20(16-17(6-2)11-9-13-19)18(7-3)12-10-15-21-4/h6-7,9-12H,5,8,13-16H2,1-4H3/b11-9-,12-10-,17-6+,18-7+
InChIKeyQNAVBRZAXXAHMG-RQPCUISGSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 143936414

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The IUPAC name of (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine (CID 142550004) is (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine is C/C=C(\C=C/CCl)CN(CCCC)C(/C=C\COC)=C/C.
What is the InChIKey of (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The InChIKey is QNAVBRZAXXAHMG-RQPCUISGSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-5-8-14-20(16-17(6-2)11-9-13-19)18(7-3)12-10-15-21-4/h6-7,9-12H,5,8,13-16H2,1-4H3/b11-9-,12-10-,17-6+,18-7+.
What are the key properties of (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine has a molecular weight of 311.90 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine is sourced from PubChem (CID 142550004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).