2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C16H28F3N — CID 81320865

IUPAC2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N/c1-11-10-15(2,3)9-8-14(11)20-13-6-4-12(5-7-13)16(17,18)19/h11-14,20H,4-10H2,1-3H3
InChIKeyKSVJNPJYKUYARF-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds2

About 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 81320865) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID81320865
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N/c1-11-10-15(2,3)9-8-14(11)20-13-6-4-12(5-7-13)16(17,18)19/h11-14,20H,4-10H2,1-3H3
InChIKeyKSVJNPJYKUYARF-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 81320865) is 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC1CC(C)(C)CCC1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is KSVJNPJYKUYARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-11-10-15(2,3)9-8-14(11)20-13-6-4-12(5-7-13)16(17,18)19/h11-14,20H,4-10H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 81320865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).