(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine

C15H27NO — CID 139419803

IUPAC(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(/C=C/C(=C)OC)CCCN(C)CCCC
InChIInChI=1S/C15H27NO/c1-6-7-12-16(4)13-8-9-14(2)10-11-15(3)17-5/h10-11H,2-3,6-9,12-13H2,1,4-5H3/b11-10+
InChIKeyVOROEQJYHYOYDX-ZHACJKMWSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds10

About (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine

(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 139419803) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID139419803
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(/C=C/C(=C)OC)CCCN(C)CCCC
InChIInChI=1S/C15H27NO/c1-6-7-12-16(4)13-8-9-14(2)10-11-15(3)17-5/h10-11H,2-3,6-9,12-13H2,1,4-5H3/b11-10+
InChIKeyVOROEQJYHYOYDX-ZHACJKMWSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
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 (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine (CID 139419803) is (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine is C=C(/C=C/C(=C)OC)CCCN(C)CCCC.
What is the InChIKey of (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is VOROEQJYHYOYDX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-7-12-16(4)13-8-9-14(2)10-11-15(3)17-5/h10-11H,2-3,6-9,12-13H2,1,4-5H3/b11-10+.
What are the key properties of (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine?
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 139419803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).