N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine

C16H29F2N — CID 105138999

IUPACN-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2N/c1-2-11-19-15(12-13-5-3-4-6-13)14-7-9-16(17,18)10-8-14/h13-15,19H,2-12H2,1H3
InChIKeyJAASERYJHWBBLC-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.76
Rot. Bonds6

About N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine (PubChem CID 105138999) has the molecular formula C16H29F2N and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
PubChem CID105138999
Molecular FormulaC16H29F2N
Molecular Weight273.41 g/mol
Exact Mass273.23
IUPAC NameN-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2N/c1-2-11-19-15(12-13-5-3-4-6-13)14-7-9-16(17,18)10-8-14/h13-15,19H,2-12H2,1H3
InChIKeyJAASERYJHWBBLC-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine (CID 105138999) is N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine?
The InChIKey is JAASERYJHWBBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N/c1-2-11-19-15(12-13-5-3-4-6-13)14-7-9-16(17,18)10-8-14/h13-15,19H,2-12H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine has a molecular weight of 273.41 g/mol, XLogP of 4.76, 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-(4,4-difluorocyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 105138999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).