2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine

C13H28N2O — CID 106675811

IUPAC2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCC1CCC1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-7-11-5-4-6-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyUQVUOKSTFAACEC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds8

About 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine

2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675811) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675811
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCC1CCC1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-7-11-5-4-6-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyUQVUOKSTFAACEC-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine 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 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine (CID 106675811) is 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NCCC1CCC1.
What is the InChIKey of 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is UQVUOKSTFAACEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-7-11-5-4-6-11/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine?
2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).