(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine

C27H51N — CID 146578029

IUPAC(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine
SMILESC=CN/C(CCCCCCC)=C(\C=C)C(C)(CCCCCC)CCCCCC
InChIInChI=1S/C27H51N/c1-7-12-15-18-19-22-26(28-11-5)25(10-4)27(6,23-20-16-13-8-2)24-21-17-14-9-3/h10-11,28H,4-5,7-9,12-24H2,1-3,6H3/b26-25+
InChIKeyCZRHTETXIPDGNH-OCEACIFDSA-N
MW389.71 g/mol
LogP9.47
Rot. Bonds20

About (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine

(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine (PubChem CID 146578029) has the molecular formula C27H51N and a molecular weight of 389.71 g/mol. Its IUPAC name is (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine.

Molecular Properties

Compound Name(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine
PubChem CID146578029
Molecular FormulaC27H51N
Molecular Weight389.71 g/mol
Exact Mass389.40
IUPAC Name(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine
SMILESC=CN/C(CCCCCCC)=C(\C=C)C(C)(CCCCCC)CCCCCC
InChIInChI=1S/C27H51N/c1-7-12-15-18-19-22-26(28-11-5)25(10-4)27(6,23-20-16-13-8-2)24-21-17-14-9-3/h10-11,28H,4-5,7-9,12-24H2,1-3,6H3/b26-25+
InChIKeyCZRHTETXIPDGNH-OCEACIFDSA-N
XLogP9.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethenyldodecanamide
CID 21219286
(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
CID 167179405
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
3-methylidenetridec-1-ene
CID 3776253
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
7-hydroxy-7-prop-2-enyldodecan-6-one
CID 88832433
(3E)-5,5-dimethylundeca-1,3-diene
CID 46919509
2-hexyl-2-methyldodecanedioic acid
CID 90370691
2-decyl-2-methyltetradecanoic acid
CID 611890
tritriacont-1-en-3-one
CID 153436316
2-hexyl-2-methyldecanoic acid
CID 86051716

Frequently Asked Questions

What is the IUPAC name of (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine?
The IUPAC name of (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine (CID 146578029) is (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine.
What is the SMILES notation for (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine?
The canonical SMILES for (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine is C=CN/C(CCCCCCC)=C(\C=C)C(C)(CCCCCC)CCCCCC.
What is the InChIKey of (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine?
The InChIKey is CZRHTETXIPDGNH-OCEACIFDSA-N. The full InChI is InChI=1S/C27H51N/c1-7-12-15-18-19-22-26(28-11-5)25(10-4)27(6,23-20-16-13-8-2)24-21-17-14-9-3/h10-11,28H,4-5,7-9,12-24H2,1-3,6H3/b26-25+.
What are the key properties of (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine?
(E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine has a molecular weight of 389.71 g/mol, XLogP of 9.47, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,9-bis(ethenyl)-10-hexyl-10-methylhexadec-8-en-8-amine is sourced from PubChem (CID 146578029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).