(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine

C16H31NO — CID 143615649

IUPAC(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine
SMILESCC/C=C(\C=C/COC)CCCN(C)CCCC
InChIInChI=1S/C16H31NO/c1-5-7-13-17(3)14-8-11-16(10-6-2)12-9-15-18-4/h9-10,12H,5-8,11,13-15H2,1-4H3/b12-9-,16-10-
InChIKeyIMBAVVQBEHPKOO-MNXDUIDKSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds11

About (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine

(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine (PubChem CID 143615649) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine
PubChem CID143615649
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine
SMILESCC/C=C(\C=C/COC)CCCN(C)CCCC
InChIInChI=1S/C16H31NO/c1-5-7-13-17(3)14-8-11-16(10-6-2)12-9-15-18-4/h9-10,12H,5-8,11,13-15H2,1-4H3/b12-9-,16-10-
InChIKeyIMBAVVQBEHPKOO-MNXDUIDKSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine?
The IUPAC name of (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine (CID 143615649) is (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine.
What is the SMILES notation for (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine?
The canonical SMILES for (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine is CC/C=C(\C=C/COC)CCCN(C)CCCC.
What is the InChIKey of (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine?
The InChIKey is IMBAVVQBEHPKOO-MNXDUIDKSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-13-17(3)14-8-11-16(10-6-2)12-9-15-18-4/h9-10,12H,5-8,11,13-15H2,1-4H3/b12-9-,16-10-.
What are the key properties of (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine?
(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine is sourced from PubChem (CID 143615649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).