3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile

C10H15F3N2O — CID 103367209

IUPAC3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile
SMILESCOC1CCCC1NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-16-9-4-2-3-8(9)15-6-7(5-14)10(11,12)13/h7-9,15H,2-4,6H2,1H3
InChIKeyXTGMEFHYISPXOI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.85
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile (PubChem CID 103367209) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile
PubChem CID103367209
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile
SMILESCOC1CCCC1NCC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-16-9-4-2-3-8(9)15-6-7(5-14)10(11,12)13/h7-9,15H,2-4,6H2,1H3
InChIKeyXTGMEFHYISPXOI-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile
CID 103366950
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
CID 62088069
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 62086788
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426795

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile (CID 103367209) is 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile is COC1CCCC1NCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile?
The InChIKey is XTGMEFHYISPXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-16-9-4-2-3-8(9)15-6-7(5-14)10(11,12)13/h7-9,15H,2-4,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).