2-methoxy-N,3,3-trimethylpentan-1-amine

C9H21NO — CID 144581664

IUPAC2-methoxy-N,3,3-trimethylpentan-1-amine
SMILESCCC(C)(C)C(CNC)OC
InChIInChI=1S/C9H21NO/c1-6-9(2,3)8(11-5)7-10-4/h8,10H,6-7H2,1-5H3
InChIKeyJMVIWGYDHXPBRU-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 2-methoxy-N,3,3-trimethylpentan-1-amine

2-methoxy-N,3,3-trimethylpentan-1-amine (PubChem CID 144581664) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methoxy-N,3,3-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3,3-trimethylpentan-1-amine
PubChem CID144581664
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methoxy-N,3,3-trimethylpentan-1-amine
SMILESCCC(C)(C)C(CNC)OC
InChIInChI=1S/C9H21NO/c1-6-9(2,3)8(11-5)7-10-4/h8,10H,6-7H2,1-5H3
InChIKeyJMVIWGYDHXPBRU-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N,3,3-trimethylpentan-1-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 2-methoxy-N,3,3-trimethylpentan-1-amine?
The IUPAC name of 2-methoxy-N,3,3-trimethylpentan-1-amine (CID 144581664) is 2-methoxy-N,3,3-trimethylpentan-1-amine.
What is the SMILES notation for 2-methoxy-N,3,3-trimethylpentan-1-amine?
The canonical SMILES for 2-methoxy-N,3,3-trimethylpentan-1-amine is CCC(C)(C)C(CNC)OC.
What is the InChIKey of 2-methoxy-N,3,3-trimethylpentan-1-amine?
The InChIKey is JMVIWGYDHXPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-9(2,3)8(11-5)7-10-4/h8,10H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-N,3,3-trimethylpentan-1-amine?
2-methoxy-N,3,3-trimethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,3-trimethylpentan-1-amine is sourced from PubChem (CID 144581664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).