N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

C12H22F3NO — CID 82956772

IUPACN-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCNCC1(OCCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C12H22F3NO/c1-10-4-3-5-11(8-10,9-16-2)17-7-6-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyZVLPZUYMKLWFMN-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (PubChem CID 82956772) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
PubChem CID82956772
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCNCC1(OCCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C12H22F3NO/c1-10-4-3-5-11(8-10,9-16-2)17-7-6-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyZVLPZUYMKLWFMN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
CID 82958153
N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclohexyl]methanamine
CID 82792025
1-[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]-N-methylmethanamine
CID 63934456
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine
CID 103490163
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (CID 82956772) is N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is CNCC1(OCCC(F)(F)F)CCCC(C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The InChIKey is ZVLPZUYMKLWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10-4-3-5-11(8-10,9-16-2)17-7-6-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82956772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).