1-methoxy-2-methylpentan-3-amine

C7H17NO — CID 78959029

IUPAC1-methoxy-2-methylpentan-3-amine
SMILESCCC(N)C(C)COC
InChIInChI=1S/C7H17NO/c1-4-7(8)6(2)5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyWRLGADLOXRIVCN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About 1-methoxy-2-methylpentan-3-amine

1-methoxy-2-methylpentan-3-amine (PubChem CID 78959029) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-methoxy-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-2-methylpentan-3-amine
PubChem CID78959029
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-methoxy-2-methylpentan-3-amine
SMILESCCC(N)C(C)COC
InChIInChI=1S/C7H17NO/c1-4-7(8)6(2)5-9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyWRLGADLOXRIVCN-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-methylpentan-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 1-methoxy-2-methylpentan-3-amine?
The IUPAC name of 1-methoxy-2-methylpentan-3-amine (CID 78959029) is 1-methoxy-2-methylpentan-3-amine.
What is the SMILES notation for 1-methoxy-2-methylpentan-3-amine?
The canonical SMILES for 1-methoxy-2-methylpentan-3-amine is CCC(N)C(C)COC.
What is the InChIKey of 1-methoxy-2-methylpentan-3-amine?
The InChIKey is WRLGADLOXRIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(8)6(2)5-9-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-methoxy-2-methylpentan-3-amine?
1-methoxy-2-methylpentan-3-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpentan-3-amine is sourced from PubChem (CID 78959029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).