(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine

C20H38N2 — CID 174317485

IUPAC(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine
SMILESC/C=C\C/N=C/C=C(\C)CCCCCN(CCC)CCCC
InChIInChI=1S/C20H38N2/c1-5-8-15-21-16-14-20(4)13-11-10-12-19-22(17-7-3)18-9-6-2/h5,8,14,16H,6-7,9-13,15,17-19H2,1-4H3/b8-5-,20-14+,21-16+
InChIKeyHRXKODRUXUUUIS-LADNKRBZSA-N
MW306.54 g/mol
LogP5.65
Rot. Bonds14

About (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine

(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine (PubChem CID 174317485) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine.

Molecular Properties

Compound Name(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine
PubChem CID174317485
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine
SMILESC/C=C\C/N=C/C=C(\C)CCCCCN(CCC)CCCC
InChIInChI=1S/C20H38N2/c1-5-8-15-21-16-14-20(4)13-11-10-12-19-22(17-7-3)18-9-6-2/h5,8,14,16H,6-7,9-13,15,17-19H2,1-4H3/b8-5-,20-14+,21-16+
InChIKeyHRXKODRUXUUUIS-LADNKRBZSA-N
XLogP5.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine?
The IUPAC name of (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine (CID 174317485) is (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine.
What is the SMILES notation for (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine?
The canonical SMILES for (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine is C/C=C\C/N=C/C=C(\C)CCCCCN(CCC)CCCC.
What is the InChIKey of (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine?
The InChIKey is HRXKODRUXUUUIS-LADNKRBZSA-N. The full InChI is InChI=1S/C20H38N2/c1-5-8-15-21-16-14-20(4)13-11-10-12-19-22(17-7-3)18-9-6-2/h5,8,14,16H,6-7,9-13,15,17-19H2,1-4H3/b8-5-,20-14+,21-16+.
What are the key properties of (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine?
(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine has a molecular weight of 306.54 g/mol, XLogP of 5.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine is sourced from PubChem (CID 174317485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).