N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

C15H28F3N — CID 105177137

IUPACN,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCNC(CCCC(C)C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N/c1-11(2)6-4-9-14(19-3)12-7-5-8-13(10-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyWZCBRERSAOKDMR-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.77
Rot. Bonds6

About N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (PubChem CID 105177137) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
PubChem CID105177137
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCNC(CCCC(C)C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N/c1-11(2)6-4-9-14(19-3)12-7-5-8-13(10-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyWZCBRERSAOKDMR-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
1-(1-bromoethyl)-3-(trifluoromethyl)cyclohexane
CID 66471870
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
4-cyclobutyl-4-(methylamino)butan-1-ol
CID 116953044

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The IUPAC name of N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (CID 105177137) is N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.
What is the SMILES notation for N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The canonical SMILES for N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is CNC(CCCC(C)C)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The InChIKey is WZCBRERSAOKDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-11(2)6-4-9-14(19-3)12-7-5-8-13(10-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is sourced from PubChem (CID 105177137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).