2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile

C14H22F3N3 — CID 63914201

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C14H22F3N3/c1-2-7-19-13(8-18,11-3-4-11)9-20(12-5-6-12)10-14(15,16)17/h11-12,19H,2-7,9-10H2,1H3
InChIKeyFWFCGGATOSCEEE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.69
Rot. Bonds8

About 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile (PubChem CID 63914201) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
PubChem CID63914201
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C14H22F3N3/c1-2-7-19-13(8-18,11-3-4-11)9-20(12-5-6-12)10-14(15,16)17/h11-12,19H,2-7,9-10H2,1H3
InChIKeyFWFCGGATOSCEEE-UHFFFAOYSA-N
XLogP2.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
CID 63913959
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256736
2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile (CID 63914201) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile is CCCNC(C#N)(CN(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile?
The InChIKey is FWFCGGATOSCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-2-7-19-13(8-18,11-3-4-11)9-20(12-5-6-12)10-14(15,16)17/h11-12,19H,2-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile has a molecular weight of 289.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile is sourced from PubChem (CID 63914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).