4-methyl-6-methyliminohexan-2-amine

C8H18N2 — CID 23527431

IUPAC4-methyl-6-methyliminohexan-2-amine
SMILESC/N=C/CC(C)CC(C)N
InChIInChI=1S/C8H18N2/c1-7(4-5-10-3)6-8(2)9/h5,7-8H,4,6,9H2,1-3H3/b10-5+
InChIKeyDICPENAFHMPEAE-BJMVGYQFSA-N
MW142.25 g/mol
LogP1.45
Rot. Bonds4

About 4-methyl-6-methyliminohexan-2-amine

4-methyl-6-methyliminohexan-2-amine (PubChem CID 23527431) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-methyl-6-methyliminohexan-2-amine.

Molecular Properties

Compound Name4-methyl-6-methyliminohexan-2-amine
PubChem CID23527431
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-methyl-6-methyliminohexan-2-amine
SMILESC/N=C/CC(C)CC(C)N
InChIInChI=1S/C8H18N2/c1-7(4-5-10-3)6-8(2)9/h5,7-8H,4,6,9H2,1-3H3/b10-5+
InChIKeyDICPENAFHMPEAE-BJMVGYQFSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-6-methyliminohexan-2-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 4-methyl-6-methyliminohexan-2-amine?
The IUPAC name of 4-methyl-6-methyliminohexan-2-amine (CID 23527431) is 4-methyl-6-methyliminohexan-2-amine.
What is the SMILES notation for 4-methyl-6-methyliminohexan-2-amine?
The canonical SMILES for 4-methyl-6-methyliminohexan-2-amine is C/N=C/CC(C)CC(C)N.
What is the InChIKey of 4-methyl-6-methyliminohexan-2-amine?
The InChIKey is DICPENAFHMPEAE-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(4-5-10-3)6-8(2)9/h5,7-8H,4,6,9H2,1-3H3/b10-5+.
What are the key properties of 4-methyl-6-methyliminohexan-2-amine?
4-methyl-6-methyliminohexan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methyliminohexan-2-amine is sourced from PubChem (CID 23527431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).