(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine

C8H12ClN — CID 145065726

IUPAC(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C)CNC
InChIInChI=1S/C8H12ClN/c1-4-7(6-10-3)8(9)5-2/h4-5,10H,1-2,6H2,3H3/b8-7-
InChIKeyLRELNKQSDJUEIJ-FPLPWBNLSA-N
MW157.64 g/mol
LogP2.07
Rot. Bonds4

About (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine

(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine (PubChem CID 145065726) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
PubChem CID145065726
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C)CNC
InChIInChI=1S/C8H12ClN/c1-4-7(6-10-3)8(9)5-2/h4-5,10H,1-2,6H2,3H3/b8-7-
InChIKeyLRELNKQSDJUEIJ-FPLPWBNLSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.07
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

(E)-2-ethenyl-N-methyl-3-(methylideneamino)but-2-en-1-amine
CID 142162721
(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
CID 143958095
(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine
CID 144709790
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(3E)-4-chloro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239286
N-methylprop-2-en-1-amine;prop-2-enamide
CID 175303196
3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine (CID 145065726) is (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine is C=C/C(Cl)=C(\C=C)CNC.
What is the InChIKey of (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine?
The InChIKey is LRELNKQSDJUEIJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(6-10-3)8(9)5-2/h4-5,10H,1-2,6H2,3H3/b8-7-.
What are the key properties of (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine?
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine has a molecular weight of 157.64 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 145065726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).