N-(2-cyclopropylcyclobutyl)oxan-4-amine

C12H21NO — CID 130616694

IUPACN-(2-cyclopropylcyclobutyl)oxan-4-amine
SMILESC1CC(NC2CCC2C2CC2)CCO1
InChIInChI=1S/C12H21NO/c1-2-9(1)11-3-4-12(11)13-10-5-7-14-8-6-10/h9-13H,1-8H2
InChIKeyWLRATQKDIRIRKP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds3

About N-(2-cyclopropylcyclobutyl)oxan-4-amine

N-(2-cyclopropylcyclobutyl)oxan-4-amine (PubChem CID 130616694) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-cyclopropylcyclobutyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylcyclobutyl)oxan-4-amine
PubChem CID130616694
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-cyclopropylcyclobutyl)oxan-4-amine
SMILESC1CC(NC2CCC2C2CC2)CCO1
InChIInChI=1S/C12H21NO/c1-2-9(1)11-3-4-12(11)13-10-5-7-14-8-6-10/h9-13H,1-8H2
InChIKeyWLRATQKDIRIRKP-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclopropylcyclobutyl)oxan-4-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-(2-cyclopropylcyclobutyl)oxan-4-amine?
The IUPAC name of N-(2-cyclopropylcyclobutyl)oxan-4-amine (CID 130616694) is N-(2-cyclopropylcyclobutyl)oxan-4-amine.
What is the SMILES notation for N-(2-cyclopropylcyclobutyl)oxan-4-amine?
The canonical SMILES for N-(2-cyclopropylcyclobutyl)oxan-4-amine is C1CC(NC2CCC2C2CC2)CCO1.
What is the InChIKey of N-(2-cyclopropylcyclobutyl)oxan-4-amine?
The InChIKey is WLRATQKDIRIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-9(1)11-3-4-12(11)13-10-5-7-14-8-6-10/h9-13H,1-8H2.
What are the key properties of N-(2-cyclopropylcyclobutyl)oxan-4-amine?
N-(2-cyclopropylcyclobutyl)oxan-4-amine has a molecular weight of 195.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylcyclobutyl)oxan-4-amine is sourced from PubChem (CID 130616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).