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

C14H24F3NO — CID 104585939

IUPACN-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(CNC2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H24F3NO/c1-13(6-8-19-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyQGWNMWJKBFZWES-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds3

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

N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104585939) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104585939
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(CNC2CCC(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H24F3NO/c1-13(6-8-19-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyQGWNMWJKBFZWES-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104585939) is N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC1(CNC2CCC(C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QGWNMWJKBFZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-13(6-8-19-9-7-13)10-18-12-4-2-11(3-5-12)14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104585939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).