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

C16H28F3N — CID 62703705

IUPAC4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N/c1-11(2)12-3-7-14(8-4-12)20-15-9-5-13(6-10-15)16(17,18)19/h11-15,20H,3-10H2,1-2H3
InChIKeyZUVNEEHUPPVOLP-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds3

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

4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 62703705) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID62703705
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N/c1-11(2)12-3-7-14(8-4-12)20-15-9-5-13(6-10-15)16(17,18)19/h11-15,20H,3-10H2,1-2H3
InChIKeyZUVNEEHUPPVOLP-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 62703705) is 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC(C)C1CCC(NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is ZUVNEEHUPPVOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-11(2)12-3-7-14(8-4-12)20-15-9-5-13(6-10-15)16(17,18)19/h11-15,20H,3-10H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 62703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).