5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C17H30F3N — CID 43434643

IUPAC5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C17H30F3N/c1-11(2)15-9-4-12(3)10-16(15)21-14-7-5-13(6-8-14)17(18,19)20/h11-16,21H,4-10H2,1-3H3
InChIKeyHHGPHVQMTBEJHQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.16
Rot. Bonds3

About 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 43434643) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID43434643
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C17H30F3N/c1-11(2)15-9-4-12(3)10-16(15)21-14-7-5-13(6-8-14)17(18,19)20/h11-16,21H,4-10H2,1-3H3
InChIKeyHHGPHVQMTBEJHQ-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 43434643) is 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC1CCC(C(C)C)C(NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is HHGPHVQMTBEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-11(2)15-9-4-12(3)10-16(15)21-14-7-5-13(6-8-14)17(18,19)20/h11-16,21H,4-10H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43434643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).