(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine

C16H26ClN — CID 142913118

IUPAC(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(/CNCC1CCC(CC)CC1)C(=C)Cl
InChIInChI=1S/C16H26ClN/c1-4-6-16(13(3)17)12-18-11-15-9-7-14(5-2)8-10-15/h4,6,14-15,18H,1,3,5,7-12H2,2H3/b16-6-
InChIKeyREVMJUWURRDXSE-SOFYXZRVSA-N
MW267.84 g/mol
LogP4.66
Rot. Bonds7

About (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine

(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine (PubChem CID 142913118) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
PubChem CID142913118
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(/CNCC1CCC(CC)CC1)C(=C)Cl
InChIInChI=1S/C16H26ClN/c1-4-6-16(13(3)17)12-18-11-15-9-7-14(5-2)8-10-15/h4,6,14-15,18H,1,3,5,7-12H2,2H3/b16-6-
InChIKeyREVMJUWURRDXSE-SOFYXZRVSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-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

2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 60972483
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
ethenol;ethylcyclopropane
CID 18331953
1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
CID 123746501
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
4-[(2Z)-2-(1-chloroethenyl)penta-2,4-dienyl]sulfanylpiperidine
CID 142028346
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine (CID 142913118) is (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine is C=C/C=C(/CNCC1CCC(CC)CC1)C(=C)Cl.
What is the InChIKey of (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine?
The InChIKey is REVMJUWURRDXSE-SOFYXZRVSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-6-16(13(3)17)12-18-11-15-9-7-14(5-2)8-10-15/h4,6,14-15,18H,1,3,5,7-12H2,2H3/b16-6-.
What are the key properties of (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine?
(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 142913118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).