(3E,5Z)-N-ethylhepta-3,5-dien-3-amine

C9H17N — CID 129019106

IUPAC(3E,5Z)-N-ethylhepta-3,5-dien-3-amine
SMILESC/C=C\C=C(/CC)NCC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h4,7-8,10H,5-6H2,1-3H3/b7-4-,9-8+
InChIKeyUDEXWPFWHDTVGG-NKUJDFQBSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds4

About (3E,5Z)-N-ethylhepta-3,5-dien-3-amine

(3E,5Z)-N-ethylhepta-3,5-dien-3-amine (PubChem CID 129019106) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3E,5Z)-N-ethylhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-ethylhepta-3,5-dien-3-amine
PubChem CID129019106
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3E,5Z)-N-ethylhepta-3,5-dien-3-amine
SMILESC/C=C\C=C(/CC)NCC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h4,7-8,10H,5-6H2,1-3H3/b7-4-,9-8+
InChIKeyUDEXWPFWHDTVGG-NKUJDFQBSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-ethylhepta-3,5-dien-3-amine?
The IUPAC name of (3E,5Z)-N-ethylhepta-3,5-dien-3-amine (CID 129019106) is (3E,5Z)-N-ethylhepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5Z)-N-ethylhepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5Z)-N-ethylhepta-3,5-dien-3-amine is C/C=C\C=C(/CC)NCC.
What is the InChIKey of (3E,5Z)-N-ethylhepta-3,5-dien-3-amine?
The InChIKey is UDEXWPFWHDTVGG-NKUJDFQBSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h4,7-8,10H,5-6H2,1-3H3/b7-4-,9-8+.
What are the key properties of (3E,5Z)-N-ethylhepta-3,5-dien-3-amine?
(3E,5Z)-N-ethylhepta-3,5-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethylhepta-3,5-dien-3-amine is sourced from PubChem (CID 129019106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).