(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine

C7H12ClN — CID 142510236

IUPAC(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine
SMILESC=C(Cl)/C=C(\C)CNC
InChIInChI=1S/C7H12ClN/c1-6(5-9-3)4-7(2)8/h4,9H,2,5H2,1,3H3/b6-4+
InChIKeyZTCSMVAWKXHBDR-GQCTYLIASA-N
MW145.63 g/mol
LogP1.90
Rot. Bonds3

About (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine

(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine (PubChem CID 142510236) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine
PubChem CID142510236
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine
SMILESC=C(Cl)/C=C(\C)CNC
InChIInChI=1S/C7H12ClN/c1-6(5-9-3)4-7(2)8/h4,9H,2,5H2,1,3H3/b6-4+
InChIKeyZTCSMVAWKXHBDR-GQCTYLIASA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-Chloro-5-fluoro-3-methyl-1,2-dihydropyridine
CID 163850809
(E)-N,2-dimethylbut-2-en-1-amine
CID 13149681
(2E)-N,2-dimethylpenta-2,4-dien-1-amine
CID 55299239
N,2-dimethylbut-2-en-1-amine
CID 73166591
N,2-dimethylpenta-2,4-dien-1-amine
CID 76225276
(2E,4Z)-N,2-dimethylhexa-2,4-dien-1-amine
CID 88997223
(2E,4Z)-N,2-dimethylhepta-2,4,6-trien-1-amine
CID 89126572
(E)-4-chloro-N-methyl-2-methylidenehex-3-en-1-amine
CID 89204376
6-Chloro-3-methyl-1,2-dihydropyridine
CID 117838577
2-chloro-N-methylhexa-2,4-dien-1-amine
CID 123212746
5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
CID 123567614
N,2,5-trimethylhexa-2,4-dien-1-amine
CID 123597033

Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine (CID 142510236) is (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine is C=C(Cl)/C=C(\C)CNC.
What is the InChIKey of (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine?
The InChIKey is ZTCSMVAWKXHBDR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12ClN/c1-6(5-9-3)4-7(2)8/h4,9H,2,5H2,1,3H3/b6-4+.
What are the key properties of (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine?
(2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine has a molecular weight of 145.63 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-N,2-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142510236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).