4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine

C14H25F2N — CID 164769277

IUPAC4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h10-12,17H,4-9H2,1-3H3
InChIKeyWNCNGJNAGZFMFQ-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.98
Rot. Bonds2

About 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine

4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine (PubChem CID 164769277) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine
PubChem CID164769277
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h10-12,17H,4-9H2,1-3H3
InChIKeyWNCNGJNAGZFMFQ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-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 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine (CID 164769277) is 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine is CC(C)(C)C1CCC(NC2CC(F)(F)C2)CC1.
What is the InChIKey of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine?
The InChIKey is WNCNGJNAGZFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine?
4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 164769277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).