(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine

C14H22ClN — CID 144709790

IUPAC(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C)CNCC1CCCCC1
InChIInChI=1S/C14H22ClN/c1-3-13(14(15)4-2)11-16-10-12-8-6-5-7-9-12/h3-4,12,16H,1-2,5-11H2/b14-13-
InChIKeyIYXDBZARWKZJGQ-YPKPFQOOSA-N
MW239.79 g/mol
LogP4.02
Rot. Bonds6

About (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine

(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine (PubChem CID 144709790) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine
PubChem CID144709790
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C)CNCC1CCCCC1
InChIInChI=1S/C14H22ClN/c1-3-13(14(15)4-2)11-16-10-12-8-6-5-7-9-12/h3-4,12,16H,1-2,5-11H2/b14-13-
InChIKeyIYXDBZARWKZJGQ-YPKPFQOOSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
(cyclononylmethylamino)methanol
CID 137465268
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
CID 78908843
N-(cyclohexylmethyl)-2,3-dimethylbut-2-en-1-amine
CID 142079067
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
CID 81430081
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine (CID 144709790) is (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine is C=C/C(Cl)=C(\C=C)CNCC1CCCCC1.
What is the InChIKey of (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine?
The InChIKey is IYXDBZARWKZJGQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-13(14(15)4-2)11-16-10-12-8-6-5-7-9-12/h3-4,12,16H,1-2,5-11H2/b14-13-.
What are the key properties of (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine?
(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 144709790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).