N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine

C10H18FN — CID 130614791

IUPACN-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CCC1NCC1(F)CC1
InChIInChI=1S/C10H18FN/c1-9(2)4-3-8(9)12-7-10(11)5-6-10/h8,12H,3-7H2,1-2H3
InChIKeyHOONKFNMVUAOQV-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.27
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine

N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 130614791) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID130614791
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CCC1NCC1(F)CC1
InChIInChI=1S/C10H18FN/c1-9(2)4-3-8(9)12-7-10(11)5-6-10/h8,12H,3-7H2,1-2H3
InChIKeyHOONKFNMVUAOQV-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-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 N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 130614791) is N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine is CC1(C)CCC1NCC1(F)CC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HOONKFNMVUAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2)4-3-8(9)12-7-10(11)5-6-10/h8,12H,3-7H2,1-2H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine?
N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130614791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).