4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine

C15H28FN — CID 164990378

IUPAC4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1(F)CC(NC2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H28FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h11-13,17H,5-10H2,1-4H3
InChIKeyUTAKVNXGTDTWOH-UHFFFAOYSA-N
MW241.39 g/mol
LogP4.07
Rot. Bonds2

About 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine

4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine (PubChem CID 164990378) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine
PubChem CID164990378
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine
SMILESCC1(F)CC(NC2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H28FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h11-13,17H,5-10H2,1-4H3
InChIKeyUTAKVNXGTDTWOH-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine (CID 164990378) is 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine is CC1(F)CC(NC2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine?
The InChIKey is UTAKVNXGTDTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine?
4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohexan-1-amine has a molecular weight of 241.39 g/mol, XLogP of 4.07, 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-fluoro-3-methylcyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 164990378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).