(5E)-6-chlorohepta-1,5-dien-3-amine

C7H12ClN — CID 89073844

IUPAC(5E)-6-chlorohepta-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(\C)Cl
InChIInChI=1S/C7H12ClN/c1-3-7(9)5-4-6(2)8/h3-4,7H,1,5,9H2,2H3/b6-4+
InChIKeyYLVZRPKNRVOLGR-GQCTYLIASA-N
MW145.63 g/mol
LogP2.03
Rot. Bonds3

About (5E)-6-chlorohepta-1,5-dien-3-amine

(5E)-6-chlorohepta-1,5-dien-3-amine (PubChem CID 89073844) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (5E)-6-chlorohepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-6-chlorohepta-1,5-dien-3-amine
PubChem CID89073844
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(5E)-6-chlorohepta-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(\C)Cl
InChIInChI=1S/C7H12ClN/c1-3-7(9)5-4-6(2)8/h3-4,7H,1,5,9H2,2H3/b6-4+
InChIKeyYLVZRPKNRVOLGR-GQCTYLIASA-N
XLogP2.03
TPSA26.02 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-pent-2-en-1-amine hydrochloride
CID 121552531
2-Hexenylamine
CID 10492355
o-Chlortoluidin
CID 18372761
Propylallylamine
CID 53415109
(Z)-pent-3-en-2-amine
CID 101928412
(E,3S)-hept-4-en-3-amine
CID 142354417
Pent-3-en-2-amine
CID 13149669
Hex-3-en-2-amine
CID 55289623
(5Z)-2-fluorohepta-1,5-dien-3-amine
CID 89153786
(E,3R)-hex-4-en-3-amine
CID 11788266
Hepta-3,6-dien-2-amine
CID 91369708
Octa-3,6-dien-2-amine
CID 91583412

Frequently Asked Questions

What is the IUPAC name of (5E)-6-chlorohepta-1,5-dien-3-amine?
The IUPAC name of (5E)-6-chlorohepta-1,5-dien-3-amine (CID 89073844) is (5E)-6-chlorohepta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-6-chlorohepta-1,5-dien-3-amine?
The canonical SMILES for (5E)-6-chlorohepta-1,5-dien-3-amine is C=CC(N)C/C=C(\C)Cl.
What is the InChIKey of (5E)-6-chlorohepta-1,5-dien-3-amine?
The InChIKey is YLVZRPKNRVOLGR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12ClN/c1-3-7(9)5-4-6(2)8/h3-4,7H,1,5,9H2,2H3/b6-4+.
What are the key properties of (5E)-6-chlorohepta-1,5-dien-3-amine?
(5E)-6-chlorohepta-1,5-dien-3-amine has a molecular weight of 145.63 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-chlorohepta-1,5-dien-3-amine is sourced from PubChem (CID 89073844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).