(3E,5Z)-4-chlorohepta-3,5-dien-2-amine

C7H12ClN — CID 134365778

IUPAC(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
SMILESC/C=C\C(Cl)=C/C(C)N
InChIInChI=1S/C7H12ClN/c1-3-4-7(8)5-6(2)9/h3-6H,9H2,1-2H3/b4-3-,7-5+
InChIKeyNEMDPSHJYRYITR-QVXLNCAUSA-N
MW145.63 g/mol
LogP2.03
Rot. Bonds2

About (3E,5Z)-4-chlorohepta-3,5-dien-2-amine

(3E,5Z)-4-chlorohepta-3,5-dien-2-amine (PubChem CID 134365778) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (3E,5Z)-4-chlorohepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
PubChem CID134365778
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
SMILESC/C=C\C(Cl)=C/C(C)N
InChIInChI=1S/C7H12ClN/c1-3-4-7(8)5-6(2)9/h3-6H,9H2,1-2H3/b4-3-,7-5+
InChIKeyNEMDPSHJYRYITR-QVXLNCAUSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

4-methylhepta-3,5-dien-2-amine
CID 123570929
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(E,5R)-5-amino-2-methylhex-3-en-3-ol
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(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909
(E)-pent-3-en-2-amine
CID 13149669
3-(1-aminoethyl)-4-chlorohepta-3,5-dienoic acid
CID 91288261
(2Z,4E)-6-methylhepta-2,4-dien-4-ol
CID 88856291
(4Z,6E)-5-chloroocta-4,6-dien-3-one
CID 15719472
2-chloro-3-propan-2-yloxyhexa-2,4-diene
CID 123282119
4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
CID 87993169
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-chlorohepta-3,5-dien-2-amine?
The IUPAC name of (3E,5Z)-4-chlorohepta-3,5-dien-2-amine (CID 134365778) is (3E,5Z)-4-chlorohepta-3,5-dien-2-amine.
What is the SMILES notation for (3E,5Z)-4-chlorohepta-3,5-dien-2-amine?
The canonical SMILES for (3E,5Z)-4-chlorohepta-3,5-dien-2-amine is C/C=C\C(Cl)=C/C(C)N.
What is the InChIKey of (3E,5Z)-4-chlorohepta-3,5-dien-2-amine?
The InChIKey is NEMDPSHJYRYITR-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H12ClN/c1-3-4-7(8)5-6(2)9/h3-6H,9H2,1-2H3/b4-3-,7-5+.
What are the key properties of (3E,5Z)-4-chlorohepta-3,5-dien-2-amine?
(3E,5Z)-4-chlorohepta-3,5-dien-2-amine has a molecular weight of 145.63 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-chlorohepta-3,5-dien-2-amine is sourced from PubChem (CID 134365778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).