2-(cyclopropylmethoxy)-3-methylbutan-1-amine

C9H19NO — CID 62457455

IUPAC2-(cyclopropylmethoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)OCC1CC1
InChIInChI=1S/C9H19NO/c1-7(2)9(5-10)11-6-8-3-4-8/h7-9H,3-6,10H2,1-2H3
InChIKeyXYAHIMBUKMYQND-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds5

About 2-(cyclopropylmethoxy)-3-methylbutan-1-amine

2-(cyclopropylmethoxy)-3-methylbutan-1-amine (PubChem CID 62457455) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-methylbutan-1-amine
PubChem CID62457455
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(cyclopropylmethoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)OCC1CC1
InChIInChI=1S/C9H19NO/c1-7(2)9(5-10)11-6-8-3-4-8/h7-9H,3-6,10H2,1-2H3
InChIKeyXYAHIMBUKMYQND-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethoxy)-3-methylbutan-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-(cyclopropylmethoxy)-3-methylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-3-methylbutan-1-amine (CID 62457455) is 2-(cyclopropylmethoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-methylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-methylbutan-1-amine is CC(C)C(CN)OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-methylbutan-1-amine?
The InChIKey is XYAHIMBUKMYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(5-10)11-6-8-3-4-8/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-3-methylbutan-1-amine?
2-(cyclopropylmethoxy)-3-methylbutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 62457455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).