(3Z,5Z)-hepta-3,5-dien-2-amine

C7H13N — CID 139386653

IUPAC(3Z,5Z)-hepta-3,5-dien-2-amine
SMILESC/C=C\C=C/C(C)N
InChIInChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3-7H,8H2,1-2H3/b4-3-,6-5-
InChIKeyLCNSSLDUYCHJMW-OUPQRBNQSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds2

About (3Z,5Z)-hepta-3,5-dien-2-amine

(3Z,5Z)-hepta-3,5-dien-2-amine (PubChem CID 139386653) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3Z,5Z)-hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-hepta-3,5-dien-2-amine
PubChem CID139386653
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3Z,5Z)-hepta-3,5-dien-2-amine
SMILESC/C=C\C=C/C(C)N
InChIInChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3-7H,8H2,1-2H3/b4-3-,6-5-
InChIKeyLCNSSLDUYCHJMW-OUPQRBNQSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.47
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

But-3-en-2-amine
CID 15584178
2,4,6-Cycloheptatriene-1-ethylamine
CID 58094
(2R)-But-3-en-2-amine
CID 21082342
(2E)-pent-2-en-1-amine hydrochloride
CID 121552531
2-Hexenylamine
CID 10492355
Pent-3-enylamine
CID 5466580
(3E)-hexa-3,5-dien-1-amine hydrochloride
CID 13658895
4-Methylcyclohexa-2,5-dien-1-amine
CID 42627495
1-Amino-pent-3-ene
CID 533840
4-Methylpent-3-en-2-amine
CID 14949967
1H-Anilin
CID 15267068
Propylallylamine
CID 53415109

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-hepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5Z)-hepta-3,5-dien-2-amine (CID 139386653) is (3Z,5Z)-hepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-hepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5Z)-hepta-3,5-dien-2-amine is C/C=C\C=C/C(C)N.
What is the InChIKey of (3Z,5Z)-hepta-3,5-dien-2-amine?
The InChIKey is LCNSSLDUYCHJMW-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3-7H,8H2,1-2H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-hepta-3,5-dien-2-amine?
(3Z,5Z)-hepta-3,5-dien-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-hepta-3,5-dien-2-amine is sourced from PubChem (CID 139386653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).