(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine

C24H46N2 — CID 134556202

IUPAC(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine
SMILESC=NN(/C=C/C(C)(C)CCCCC)/C(=C\C)CCCCC(C)(CC)CC
InChIInChI=1S/C24H46N2/c1-9-13-15-18-23(5,6)20-21-26(25-8)22(10-2)17-14-16-19-24(7,11-3)12-4/h10,20-21H,8-9,11-19H2,1-7H3/b21-20+,22-10-
InChIKeyCIKKLAXGNGCYAI-CWQWJVDZSA-N
MW362.65 g/mol
LogP8.31
Rot. Bonds15

About (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine

(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine (PubChem CID 134556202) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine
PubChem CID134556202
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine
SMILESC=NN(/C=C/C(C)(C)CCCCC)/C(=C\C)CCCCC(C)(CC)CC
InChIInChI=1S/C24H46N2/c1-9-13-15-18-23(5,6)20-21-26(25-8)22(10-2)17-14-16-19-24(7,11-3)12-4/h10,20-21H,8-9,11-19H2,1-7H3/b21-20+,22-10-
InChIKeyCIKKLAXGNGCYAI-CWQWJVDZSA-N
XLogP8.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine 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 (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine?
The IUPAC name of (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine (CID 134556202) is (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine.
What is the SMILES notation for (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine?
The canonical SMILES for (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine is C=NN(/C=C/C(C)(C)CCCCC)/C(=C\C)CCCCC(C)(CC)CC.
What is the InChIKey of (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine?
The InChIKey is CIKKLAXGNGCYAI-CWQWJVDZSA-N. The full InChI is InChI=1S/C24H46N2/c1-9-13-15-18-23(5,6)20-21-26(25-8)22(10-2)17-14-16-19-24(7,11-3)12-4/h10,20-21H,8-9,11-19H2,1-7H3/b21-20+,22-10-.
What are the key properties of (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine?
(Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine has a molecular weight of 362.65 g/mol, XLogP of 8.31, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3,3-dimethyloct-1-enyl]-8-ethyl-8-methyl-N-(methylideneamino)dec-2-en-3-amine is sourced from PubChem (CID 134556202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).