(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine

C7H9N — CID 145347359

IUPAC(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
SMILESC#C/C(N)=C/C=C\C
InChIInChI=1S/C7H9N/c1-3-5-6-7(8)4-2/h2-3,5-6H,8H2,1H3/b5-3-,7-6-
InChIKeyZFPXCEIHBYKPOI-VKLRWAGZSA-N
MW107.16 g/mol
LogP1.04
Rot. Bonds1

About (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine

(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine (PubChem CID 145347359) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
PubChem CID145347359
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
SMILESC#C/C(N)=C/C=C\C
InChIInChI=1S/C7H9N/c1-3-5-6-7(8)4-2/h2-3,5-6H,8H2,1H3/b5-3-,7-6-
InChIKeyZFPXCEIHBYKPOI-VKLRWAGZSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-6-methylhepta-3,5-dien-1-yn-3-amine
CID 167215613
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
(3E,5Z)-2-hydrazinylhepta-1,3,5-trien-3-amine
CID 134408250
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(2Z,4E)-2-bromohexa-2,4-dienenitrile
CID 24851488
(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene
CID 167457315
1-[(3Z,5Z)-hepta-3,5-dien-1-yn-3-yl]-2-propylcyclopropane
CID 143338715
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(1Z,3Z)-penta-1,3-diene-1-thiol
CID 126660407

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine?
The IUPAC name of (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine (CID 145347359) is (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine.
What is the SMILES notation for (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine?
The canonical SMILES for (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine is C#C/C(N)=C/C=C\C.
What is the InChIKey of (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine?
The InChIKey is ZFPXCEIHBYKPOI-VKLRWAGZSA-N. The full InChI is InChI=1S/C7H9N/c1-3-5-6-7(8)4-2/h2-3,5-6H,8H2,1H3/b5-3-,7-6-.
What are the key properties of (3Z,5Z)-hepta-3,5-dien-1-yn-3-amine?
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine has a molecular weight of 107.16 g/mol, XLogP of 1.04, 1 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-1-yn-3-amine is sourced from PubChem (CID 145347359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).