1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine

C9H18FN — CID 80694055

IUPAC1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine
SMILESCCC(CC1CC1)NCCF
InChIInChI=1S/C9H18FN/c1-2-9(11-6-5-10)7-8-3-4-8/h8-9,11H,2-7H2,1H3
InChIKeyWOODDZANEYMAJJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds6

About 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine

1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine (PubChem CID 80694055) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine
PubChem CID80694055
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine
SMILESCCC(CC1CC1)NCCF
InChIInChI=1S/C9H18FN/c1-2-9(11-6-5-10)7-8-3-4-8/h8-9,11H,2-7H2,1H3
InChIKeyWOODDZANEYMAJJ-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-N-(2-fluoroethyl)butan-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 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine (CID 80694055) is 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine is CCC(CC1CC1)NCCF.
What is the InChIKey of 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine?
The InChIKey is WOODDZANEYMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-2-9(11-6-5-10)7-8-3-4-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine?
1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-fluoroethyl)butan-2-amine is sourced from PubChem (CID 80694055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).