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

C7H12ClN — CID 88940379

IUPAC(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
SMILESC/C(Cl)=C\C=C/CCN
InChIInChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+
InChIKeyXYKIOACPXFPSRV-JYUXVSJCSA-N
MW145.63 g/mol
LogP2.03
Rot. Bonds3

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

(3Z,5E)-6-chlorohepta-3,5-dien-1-amine (PubChem CID 88940379) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (3Z,5E)-6-chlorohepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
PubChem CID88940379
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
SMILESC/C(Cl)=C\C=C/CCN
InChIInChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+
InChIKeyXYKIOACPXFPSRV-JYUXVSJCSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-methylhepta-3,5-dien-1-amine
CID 79592244
(5Z,7E)-8-chloronona-1,5,7-triene
CID 142147168
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846
(2E,4E)-7-aminohepta-2,4-dien-1-ol
CID 102305339
(3Z,5E)-6-(trifluoromethyl)octa-3,5-dien-7-yn-1-amine
CID 143883504
(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine
CID 131976740
5,5-difluoro-4-methylpent-3-en-1-amine
CID 80611327
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
CID 143033225
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
1,1-dichloroocta-1,3-diene;palladium
CID 87090262
(4E,8E)-2-methyldeca-2,4,8-triene
CID 173142496

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine (CID 88940379) is (3Z,5E)-6-chlorohepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-6-chlorohepta-3,5-dien-1-amine is C/C(Cl)=C\C=C/CCN.
What is the InChIKey of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The InChIKey is XYKIOACPXFPSRV-JYUXVSJCSA-N. The full InChI is InChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+.
What are the key properties of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
(3Z,5E)-6-chlorohepta-3,5-dien-1-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 (3Z,5E)-6-chlorohepta-3,5-dien-1-amine is sourced from PubChem (CID 88940379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).