(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine

C45H83N — CID 139380837

IUPAC(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
SMILESC=C(CCCNCC)CC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H83N/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-45(43-44(4)39-38-42-46-7-3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h14-17,20-23,45-46H,4-13,18-19,24-43H2,1-3H3/b16-14-,17-15-,22-20-,23-21-
InChIKeyGGMJKUFUUXUYST-ZPPAUJSGSA-N
MW638.17 g/mol
LogP15.35
Rot. Bonds37

About (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine

(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine (PubChem CID 139380837) has the molecular formula C45H83N and a molecular weight of 638.17 g/mol. Its IUPAC name is (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine.

Molecular Properties

Compound Name(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
PubChem CID139380837
Molecular FormulaC45H83N
Molecular Weight638.17 g/mol
Exact Mass637.65
IUPAC Name(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
SMILESC=C(CCCNCC)CC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H83N/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-45(43-44(4)39-38-42-46-7-3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h14-17,20-23,45-46H,4-13,18-19,24-43H2,1-3H3/b16-14-,17-15-,22-20-,23-21-
InChIKeyGGMJKUFUUXUYST-ZPPAUJSGSA-N
XLogP15.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds37
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.17
LogP ≤ 515.35
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'}

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Related Compounds

5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene
CID 166117737
19-propyltritriaconta-6,9,24-triene
CID 54372361
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263
11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen
CID 159591693
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine?
The IUPAC name of (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine (CID 139380837) is (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine.
What is the SMILES notation for (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine?
The canonical SMILES for (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine is C=C(CCCNCC)CC(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine?
The InChIKey is GGMJKUFUUXUYST-ZPPAUJSGSA-N. The full InChI is InChI=1S/C45H83N/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-45(43-44(4)39-38-42-46-7-3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h14-17,20-23,45-46H,4-13,18-19,24-43H2,1-3H3/b16-14-,17-15-,22-20-,23-21-.
What are the key properties of (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine?
(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine has a molecular weight of 638.17 g/mol, XLogP of 15.35, 37 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine is sourced from PubChem (CID 139380837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).