1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile

C11H17F3N2O — CID 79639106

IUPAC1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16-10(7-15)4-3-9(6-10)17-8-11(12,13)14/h9,16H,2-6,8H2,1H3
InChIKeyOSEHHUQWBFOSFD-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds5

About 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile

1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile (PubChem CID 79639106) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
PubChem CID79639106
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16-10(7-15)4-3-9(6-10)17-8-11(12,13)14/h9,16H,2-6,8H2,1H3
InChIKeyOSEHHUQWBFOSFD-UHFFFAOYSA-N
XLogP2.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639894
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
CID 106822496
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile (CID 79639106) is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile?
The InChIKey is OSEHHUQWBFOSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-16-10(7-15)4-3-9(6-10)17-8-11(12,13)14/h9,16H,2-6,8H2,1H3.
What are the key properties of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile?
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).