(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine

C22H39N — CID 166540706

IUPAC(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine
SMILESCC/C=C\CC/C=C/C=C\C=C\C(C)CCNCCCCCC
InChIInChI=1S/C22H39N/c1-4-6-8-10-11-12-13-14-15-16-18-22(3)19-21-23-20-17-9-7-5-2/h6,8,12-16,18,22-23H,4-5,7,9-11,17,19-21H2,1-3H3/b8-6-,13-12+,15-14-,18-16+
InChIKeyVKQXTORPDNKKTQ-MENLOLNYSA-N
MW317.56 g/mol
LogP6.60
Rot. Bonds15

About (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine

(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine (PubChem CID 166540706) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine.

Molecular Properties

Compound Name(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine
PubChem CID166540706
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine
SMILESCC/C=C\CC/C=C/C=C\C=C\C(C)CCNCCCCCC
InChIInChI=1S/C22H39N/c1-4-6-8-10-11-12-13-14-15-16-18-22(3)19-21-23-20-17-9-7-5-2/h6,8,12-16,18,22-23H,4-5,7,9-11,17,19-21H2,1-3H3/b8-6-,13-12+,15-14-,18-16+
InChIKeyVKQXTORPDNKKTQ-MENLOLNYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methylbutyl)heptan-1-amine
CID 22348867
pentacosa-3,9,11,15-tetraene
CID 141068852
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
(E)-5-methyldodec-3-ene
CID 173194511
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
14-chloro-4-methyltetradeca-5,7-diene
CID 171472271
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490

Frequently Asked Questions

What is the IUPAC name of (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine?
The IUPAC name of (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine (CID 166540706) is (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine.
What is the SMILES notation for (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine?
The canonical SMILES for (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine is CC/C=C\CC/C=C/C=C\C=C\C(C)CCNCCCCCC.
What is the InChIKey of (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine?
The InChIKey is VKQXTORPDNKKTQ-MENLOLNYSA-N. The full InChI is InChI=1S/C22H39N/c1-4-6-8-10-11-12-13-14-15-16-18-22(3)19-21-23-20-17-9-7-5-2/h6,8,12-16,18,22-23H,4-5,7,9-11,17,19-21H2,1-3H3/b8-6-,13-12+,15-14-,18-16+.
What are the key properties of (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine?
(4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine has a molecular weight of 317.56 g/mol, XLogP of 6.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z,8E,12Z)-N-hexyl-3-methylpentadeca-4,6,8,12-tetraen-1-amine is sourced from PubChem (CID 166540706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).