3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine

C19H38N2 — CID 91215496

IUPAC3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine
SMILES[H]/N=C(CC(C)(C)C(C)(C)C)\C(CC)=N\CC(C)CC(C)C
InChIInChI=1S/C19H38N2/c1-10-17(21-13-15(4)11-14(2)3)16(20)12-19(8,9)18(5,6)7/h14-15,20H,10-13H2,1-9H3/b20-16-,21-17+
InChIKeyIJNILKIINZAVMA-ARHRGINZSA-N
MW294.53 g/mol
LogP6.00
Rot. Bonds8

About 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine

3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine (PubChem CID 91215496) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine.

Molecular Properties

Compound Name3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine
PubChem CID91215496
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine
SMILES[H]/N=C(CC(C)(C)C(C)(C)C)\C(CC)=N\CC(C)CC(C)C
InChIInChI=1S/C19H38N2/c1-10-17(21-13-15(4)11-14(2)3)16(20)12-19(8,9)18(5,6)7/h14-15,20H,10-13H2,1-9H3/b20-16-,21-17+
InChIKeyIJNILKIINZAVMA-ARHRGINZSA-N
XLogP6.00
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine 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 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine?
The IUPAC name of 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine (CID 91215496) is 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine.
What is the SMILES notation for 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine?
The canonical SMILES for 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine is [H]/N=C(CC(C)(C)C(C)(C)C)\C(CC)=N\CC(C)CC(C)C.
What is the InChIKey of 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine?
The InChIKey is IJNILKIINZAVMA-ARHRGINZSA-N. The full InChI is InChI=1S/C19H38N2/c1-10-17(21-13-15(4)11-14(2)3)16(20)12-19(8,9)18(5,6)7/h14-15,20H,10-13H2,1-9H3/b20-16-,21-17+.
What are the key properties of 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine?
3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine has a molecular weight of 294.53 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylpentyl)-6,6,7,7-tetramethyloctane-3,4-diimine is sourced from PubChem (CID 91215496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).