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

C14H24F3N — CID 43730375

IUPAC4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3N/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyBIGSPZVPYDNTIP-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.28
Rot. Bonds2

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

4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 43730375) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID43730375
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3N/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyBIGSPZVPYDNTIP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 43730375) is 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC1CCC(NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is BIGSPZVPYDNTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43730375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).