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

C14H23F2N — CID 164769180

IUPAC4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)C1=CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h4,11-12,17H,5-9H2,1-3H3
InChIKeyDHPCXTZTAGJNER-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.90
Rot. Bonds2

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

4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine (PubChem CID 164769180) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine
PubChem CID164769180
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)C1=CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h4,11-12,17H,5-9H2,1-3H3
InChIKeyDHPCXTZTAGJNER-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine (CID 164769180) is 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine is CC(C)(C)C1=CCC(NC2CC(F)(F)C2)CC1.
What is the InChIKey of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine?
The InChIKey is DHPCXTZTAGJNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-13(2,3)10-4-6-11(7-5-10)17-12-8-14(15,16)9-12/h4,11-12,17H,5-9H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine?
4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.90, 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)cyclohex-3-en-1-amine is sourced from PubChem (CID 164769180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).