3-methoxy-2-methylpentane-2,3-diamine

C7H18N2O — CID 174500357

IUPAC3-methoxy-2-methylpentane-2,3-diamine
SMILESCCC(N)(OC)C(C)(C)N
InChIInChI=1S/C7H18N2O/c1-5-7(9,10-4)6(2,3)8/h5,8-9H2,1-4H3
InChIKeyRRDBZBJOANVOCZ-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.44
Rot. Bonds3

About 3-methoxy-2-methylpentane-2,3-diamine

3-methoxy-2-methylpentane-2,3-diamine (PubChem CID 174500357) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methoxy-2-methylpentane-2,3-diamine.

Molecular Properties

Compound Name3-methoxy-2-methylpentane-2,3-diamine
PubChem CID174500357
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-methoxy-2-methylpentane-2,3-diamine
SMILESCCC(N)(OC)C(C)(C)N
InChIInChI=1S/C7H18N2O/c1-5-7(9,10-4)6(2,3)8/h5,8-9H2,1-4H3
InChIKeyRRDBZBJOANVOCZ-UHFFFAOYSA-N
XLogP0.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methoxy-2-methylpentane-2,3-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 3-methoxy-2-methylpentane-2,3-diamine?
The IUPAC name of 3-methoxy-2-methylpentane-2,3-diamine (CID 174500357) is 3-methoxy-2-methylpentane-2,3-diamine.
What is the SMILES notation for 3-methoxy-2-methylpentane-2,3-diamine?
The canonical SMILES for 3-methoxy-2-methylpentane-2,3-diamine is CCC(N)(OC)C(C)(C)N.
What is the InChIKey of 3-methoxy-2-methylpentane-2,3-diamine?
The InChIKey is RRDBZBJOANVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-5-7(9,10-4)6(2,3)8/h5,8-9H2,1-4H3.
What are the key properties of 3-methoxy-2-methylpentane-2,3-diamine?
3-methoxy-2-methylpentane-2,3-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpentane-2,3-diamine is sourced from PubChem (CID 174500357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).