1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H24F3N — CID 64754449

IUPAC1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(C2(N)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3N/c1-10-3-2-4-12(9-10)13(18)7-5-11(6-8-13)14(15,16)17/h10-12H,2-9,18H2,1H3
InChIKeyOTSIQWOIJYFPSK-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.26
Rot. Bonds1

About 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754449) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754449
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(C2(N)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3N/c1-10-3-2-4-12(9-10)13(18)7-5-11(6-8-13)14(15,16)17/h10-12H,2-9,18H2,1H3
InChIKeyOTSIQWOIJYFPSK-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754449) is 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine is CC1CCCC(C2(N)CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OTSIQWOIJYFPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-10-3-2-4-12(9-10)13(18)7-5-11(6-8-13)14(15,16)17/h10-12H,2-9,18H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).