N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H26F3NO — CID 43748953

IUPACN-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-3-5-11(2)9-18-12-6-4-7-13(8-12)19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyGMIGAONVAMEWCK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748953) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748953
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-3-5-11(2)9-18-12-6-4-7-13(8-12)19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyGMIGAONVAMEWCK-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
CID 123845300
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435226
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435232
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435240
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435245
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435246

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748953) is N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCCC(C)CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is GMIGAONVAMEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-11(2)9-18-12-6-4-7-13(8-12)19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).