(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine

C14H27NO — CID 88997159

IUPAC(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(/C)OC)NCCC(C)CC
InChIInChI=1S/C14H27NO/c1-6-12(3)10-11-15-14(7-2)9-8-13(4)16-5/h8-9,12,15H,6-7,10-11H2,1-5H3/b13-8+,14-9+
InChIKeyFWFMXVAQYGNHLY-UQNWOCKMSA-N
MW225.38 g/mol
LogP3.86
Rot. Bonds8

About (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine

(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine (PubChem CID 88997159) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine
PubChem CID88997159
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(/C)OC)NCCC(C)CC
InChIInChI=1S/C14H27NO/c1-6-12(3)10-11-15-14(7-2)9-8-13(4)16-5/h8-9,12,15H,6-7,10-11H2,1-5H3/b13-8+,14-9+
InChIKeyFWFMXVAQYGNHLY-UQNWOCKMSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine (CID 88997159) is (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine is CC/C(=C\C=C(/C)OC)NCCC(C)CC.
What is the InChIKey of (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine?
The InChIKey is FWFMXVAQYGNHLY-UQNWOCKMSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-12(3)10-11-15-14(7-2)9-8-13(4)16-5/h8-9,12,15H,6-7,10-11H2,1-5H3/b13-8+,14-9+.
What are the key properties of (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine?
(3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methoxy-N-(3-methylpentyl)hepta-3,5-dien-3-amine is sourced from PubChem (CID 88997159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).