2-cyclopropyl-N-methylbutan-2-amine

C8H17N — CID 143360540

IUPAC2-cyclopropyl-N-methylbutan-2-amine
SMILESCCC(C)(NC)C1CC1
InChIInChI=1S/C8H17N/c1-4-8(2,9-3)7-5-6-7/h7,9H,4-6H2,1-3H3
InChIKeyUBFITRVEDVSDST-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds3

About 2-cyclopropyl-N-methylbutan-2-amine

2-cyclopropyl-N-methylbutan-2-amine (PubChem CID 143360540) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-cyclopropyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methylbutan-2-amine
PubChem CID143360540
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-cyclopropyl-N-methylbutan-2-amine
SMILESCCC(C)(NC)C1CC1
InChIInChI=1S/C8H17N/c1-4-8(2,9-3)7-5-6-7/h7,9H,4-6H2,1-3H3
InChIKeyUBFITRVEDVSDST-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-N-methylbutan-2-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-cyclopropyl-N-methylbutan-2-amine?
The IUPAC name of 2-cyclopropyl-N-methylbutan-2-amine (CID 143360540) is 2-cyclopropyl-N-methylbutan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-methylbutan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-methylbutan-2-amine is CCC(C)(NC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methylbutan-2-amine?
The InChIKey is UBFITRVEDVSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-8(2,9-3)7-5-6-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-methylbutan-2-amine?
2-cyclopropyl-N-methylbutan-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methylbutan-2-amine is sourced from PubChem (CID 143360540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).