N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

C17H30F3N — CID 105139109

IUPACN-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3N/c1-2-11-21-16(12-13-5-3-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,2-12H2,1H3
InChIKeySDOCZTPKLLSXBX-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.30
Rot. Bonds6

About N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (PubChem CID 105139109) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
PubChem CID105139109
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC NameN-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H30F3N/c1-2-11-21-16(12-13-5-3-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,2-12H2,1H3
InChIKeySDOCZTPKLLSXBX-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
CID 105138999
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161359
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (CID 105139109) is N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is CCCNC(CC1CCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The InChIKey is SDOCZTPKLLSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-2-11-21-16(12-13-5-3-4-6-13)14-7-9-15(10-8-14)17(18,19)20/h13-16,21H,2-12H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 105139109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).