N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NO — CID 64753871

IUPACN-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCC(C)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(8-17-2)7-16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyXKOONMFHQMOQNV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753871) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753871
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCC(C)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(8-17-2)7-16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyXKOONMFHQMOQNV-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753871) is N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is COCC(C)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XKOONMFHQMOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(8-17-2)7-16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).