(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine

C38H65N — CID 170029791

IUPAC(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine
SMILESC=C(/N=C(/C=C(\C)CC(C)C(C)CCCC)C(CC)CCC)C(=C)/C(CCC)=C(\CC)C1(C)CCCCC1=C
InChIInChI=1S/C38H65N/c1-13-18-23-29(7)30(8)26-28(6)27-37(34(16-4)21-14-2)39-33(11)32(10)35(22-15-3)36(17-5)38(12)25-20-19-24-31(38)9/h27,29-30,34H,9-11,13-26H2,1-8,12H3/b28-27+,36-35+,39-37-
InChIKeyOUJMSDJLAIJKIV-LKBRAECASA-N
MW535.95 g/mol
LogP12.77
Rot. Bonds18

About (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine

(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine (PubChem CID 170029791) has the molecular formula C38H65N and a molecular weight of 535.95 g/mol. Its IUPAC name is (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine.

Molecular Properties

Compound Name(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine
PubChem CID170029791
Molecular FormulaC38H65N
Molecular Weight535.95 g/mol
Exact Mass535.51
IUPAC Name(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine
SMILESC=C(/N=C(/C=C(\C)CC(C)C(C)CCCC)C(CC)CCC)C(=C)/C(CCC)=C(\CC)C1(C)CCCCC1=C
InChIInChI=1S/C38H65N/c1-13-18-23-29(7)30(8)26-28(6)27-37(34(16-4)21-14-2)39-33(11)32(10)35(22-15-3)36(17-5)38(12)25-20-19-24-31(38)9/h27,29-30,34H,9-11,13-26H2,1-8,12H3/b28-27+,36-35+,39-37-
InChIKeyOUJMSDJLAIJKIV-LKBRAECASA-N
XLogP12.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.95
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine?
The IUPAC name of (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine (CID 170029791) is (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine.
What is the SMILES notation for (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine?
The canonical SMILES for (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine is C=C(/N=C(/C=C(\C)CC(C)C(C)CCCC)C(CC)CCC)C(=C)/C(CCC)=C(\CC)C1(C)CCCCC1=C.
What is the InChIKey of (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine?
The InChIKey is OUJMSDJLAIJKIV-LKBRAECASA-N. The full InChI is InChI=1S/C38H65N/c1-13-18-23-29(7)30(8)26-28(6)27-37(34(16-4)21-14-2)39-33(11)32(10)35(22-15-3)36(17-5)38(12)25-20-19-24-31(38)9/h27,29-30,34H,9-11,13-26H2,1-8,12H3/b28-27+,36-35+,39-37-.
What are the key properties of (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine?
(E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine has a molecular weight of 535.95 g/mol, XLogP of 12.77, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-7,9,10-trimethyl-N-[(4E)-3-methylidene-5-(1-methyl-2-methylidenecyclohexyl)-4-propylhepta-1,4-dien-2-yl]tetradec-6-en-5-imine is sourced from PubChem (CID 170029791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).