(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine

C9H15N — CID 88579233

IUPAC(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C/C)CCN
InChIInChI=1S/C9H15N/c1-3-5-6-9(4-2)7-8-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+
InChIKeyDQKFBJZHBNXFAB-PAEKIZANSA-N
MW137.23 g/mol
LogP2.02
Rot. Bonds4

About (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine

(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine (PubChem CID 88579233) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
PubChem CID88579233
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C/C)CCN
InChIInChI=1S/C9H15N/c1-3-5-6-9(4-2)7-8-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+
InChIKeyDQKFBJZHBNXFAB-PAEKIZANSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.02
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

ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
3-[(ethylideneamino)methylidene]pent-4-en-1-amine
CID 123329638
(6Z,8Z)-6-ethenyl-N-methyl-3-propan-2-ylidenedeca-6,8-dien-2-imine
CID 142134372
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
CID 142155560
(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
CID 89129521
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
(4E,8Z,10Z)-8-ethenyl-4-hydroxy-3-iminododeca-4,8,10-trien-2-one
CID 129301987
(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
CID 153342117
(E)-2-ethenylbut-2-en-1-amine
CID 142131613

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine (CID 88579233) is (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine is C=C/C(=C\C=C/C)CCN.
What is the InChIKey of (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine?
The InChIKey is DQKFBJZHBNXFAB-PAEKIZANSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-6-9(4-2)7-8-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+.
What are the key properties of (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine?
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine is sourced from PubChem (CID 88579233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).