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

C13H24F3NO — CID 43435243

IUPACN-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-10(2)6-7-17-11-4-3-5-12(8-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyPHGUGSURDUJMJP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

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

N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435243) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435243
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-10(2)6-7-17-11-4-3-5-12(8-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyPHGUGSURDUJMJP-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
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
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
N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435247

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435243) is N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)CCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is PHGUGSURDUJMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)6-7-17-11-4-3-5-12(8-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).