(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine

C21H39N — CID 167024658

IUPAC(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine
SMILESCCNC(/C=C/CC(C)C)CC(C)CC/C=C\C=C(/C)CC
InChIInChI=1S/C21H39N/c1-7-19(5)14-10-9-11-15-20(6)17-21(22-8-2)16-12-13-18(3)4/h9-10,12,14,16,18,20-22H,7-8,11,13,15,17H2,1-6H3/b10-9-,16-12+,19-14+
InChIKeyXTTYPWZLAXSFQG-NXMMPRPHSA-N
MW305.55 g/mol
LogP6.29
Rot. Bonds12

About (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine

(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine (PubChem CID 167024658) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine.

Molecular Properties

Compound Name(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine
PubChem CID167024658
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine
SMILESCCNC(/C=C/CC(C)C)CC(C)CC/C=C\C=C(/C)CC
InChIInChI=1S/C21H39N/c1-7-19(5)14-10-9-11-15-20(6)17-21(22-8-2)16-12-13-18(3)4/h9-10,12,14,16,18,20-22H,7-8,11,13,15,17H2,1-6H3/b10-9-,16-12+,19-14+
InChIKeyXTTYPWZLAXSFQG-NXMMPRPHSA-N
XLogP6.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-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

3,7,10-trimethylundec-3-ene
CID 91082560
(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine
CID 170393482
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
2-ethyl-6-methylocta-3,5-dien-1-ol
CID 88809517
2,9-dimethylundeca-3,8-diene
CID 54445642
(6Z,8Z)-2,11-dimethyldodeca-2,6,8-triene
CID 165392440
methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
CID 10902803
(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol
CID 146673582
2,8-dimethylnon-4-ene
CID 54058844
(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
CID 15297449

Frequently Asked Questions

What is the IUPAC name of (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine?
The IUPAC name of (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine (CID 167024658) is (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine.
What is the SMILES notation for (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine?
The canonical SMILES for (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine is CCNC(/C=C/CC(C)C)CC(C)CC/C=C\C=C(/C)CC.
What is the InChIKey of (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine?
The InChIKey is XTTYPWZLAXSFQG-NXMMPRPHSA-N. The full InChI is InChI=1S/C21H39N/c1-7-19(5)14-10-9-11-15-20(6)17-21(22-8-2)16-12-13-18(3)4/h9-10,12,14,16,18,20-22H,7-8,11,13,15,17H2,1-6H3/b10-9-,16-12+,19-14+.
What are the key properties of (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine?
(4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine has a molecular weight of 305.55 g/mol, XLogP of 6.29, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,11Z,13E)-N-ethyl-2,8,14-trimethylhexadeca-4,11,13-trien-6-amine is sourced from PubChem (CID 167024658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).