3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

C17H32F3N — CID 105137916

IUPAC3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H32F3N/c1-4-7-13(3)11-16(21-10-5-2)14-8-6-9-15(12-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyDHDMDDUQEDFROW-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.55
Rot. Bonds8

About 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (PubChem CID 105137916) has the molecular formula C17H32F3N and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
PubChem CID105137916
Molecular FormulaC17H32F3N
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H32F3N/c1-4-7-13(3)11-16(21-10-5-2)14-8-6-9-15(12-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyDHDMDDUQEDFROW-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
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
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (CID 105137916) is 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is CCCNC(CC(C)CCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The InChIKey is DHDMDDUQEDFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N/c1-4-7-13(3)11-16(21-10-5-2)14-8-6-9-15(12-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is sourced from PubChem (CID 105137916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).