4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine

C15H23F6N — CID 54091079

IUPAC4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
SMILESNC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H23F6N/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12H,1-9,22H2
InChIKeyMTXAAYDNWCSLBY-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.20
Rot. Bonds2

About 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine

4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine (PubChem CID 54091079) has the molecular formula C15H23F6N and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
PubChem CID54091079
Molecular FormulaC15H23F6N
Molecular Weight331.34 g/mol
Exact Mass331.17
IUPAC Name4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
SMILESNC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H23F6N/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12H,1-9,22H2
InChIKeyMTXAAYDNWCSLBY-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)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

Related Compounds

4-(trifluoromethyl)cycloheptan-1-amine
CID 86775157
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725
cyclohexanamine;2,2,2-trifluoroethanol
CID 173402481
azane;cycloheptanamine
CID 135353953
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
CID 140500145
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
CID 171730264
carbanide;cyclododecanamine;titanium(2+)
CID 174995468
cyclohexanamine;thiohydroxylamine
CID 143520299
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine (CID 54091079) is 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine is NC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine?
The InChIKey is MTXAAYDNWCSLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F6N/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12H,1-9,22H2.
What are the key properties of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine?
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine has a molecular weight of 331.34 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 54091079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).