3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine

C17H32F3N — CID 105138112

IUPAC3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H32F3N/c1-4-6-13(3)12-16(21-11-5-2)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyQMMXESIWFBJZFF-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.55
Rot. Bonds8

About 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine

3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine (PubChem CID 105138112) has the molecular formula C17H32F3N and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
PubChem CID105138112
Molecular FormulaC17H32F3N
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H32F3N/c1-4-6-13(3)12-16(21-11-5-2)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyQMMXESIWFBJZFF-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

3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161359
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65405568
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine (CID 105138112) is 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine is CCCNC(CC(C)CCC)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The InChIKey is QMMXESIWFBJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N/c1-4-6-13(3)12-16(21-11-5-2)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,4-12H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine?
3-methyl-N-propyl-1-[4-(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-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine is sourced from PubChem (CID 105138112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).