4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C17H30F3N — CID 43434650

IUPAC4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H30F3N/c1-16(2,3)12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)17(18,19)20/h12-15,21H,4-11H2,1-3H3
InChIKeyOJZDGALLWFVDOW-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.30
Rot. Bonds2

About 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 43434650) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID43434650
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H30F3N/c1-16(2,3)12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)17(18,19)20/h12-15,21H,4-11H2,1-3H3
InChIKeyOJZDGALLWFVDOW-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-Cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86280033
2-[2,2-Bis(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86293528
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
2-[2-Cyclohexyl-2-(3,3-difluorocyclohexyl)ethyl]piperidine
CID 137634931
N-[1,6-difluoro-2,3,3,4,4,5,5-heptakis(fluoromethyl)hexan-2-yl]-4-methylcyclohexan-1-amine
CID 22501127
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29051448
N-cyclohexyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434654
4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43730375
N-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-amine
CID 58286892
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58344235
4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
CID 58818490

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 43434650) is 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC(C)(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is OJZDGALLWFVDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-16(2,3)12-4-8-14(9-5-12)21-15-10-6-13(7-11-15)17(18,19)20/h12-15,21H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.30, 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-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43434650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).