3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

C13H23N3 — CID 63915100

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(C)CC1CCC1)C1CC1
InChIInChI=1S/C13H23N3/c1-15-13(9-14,12-6-7-12)10-16(2)8-11-4-3-5-11/h11-12,15H,3-8,10H2,1-2H3
InChIKeyCWJVGPMONRPQTJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.61
Rot. Bonds6

About 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile

3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63915100) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63915100
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(C)CC1CCC1)C1CC1
InChIInChI=1S/C13H23N3/c1-15-13(9-14,12-6-7-12)10-16(2)8-11-4-3-5-11/h11-12,15H,3-8,10H2,1-2H3
InChIKeyCWJVGPMONRPQTJ-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanenitrile
CID 63912053
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
CID 63913959
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63915100) is 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(CN(C)CC1CCC1)C1CC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is CWJVGPMONRPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15-13(9-14,12-6-7-12)10-16(2)8-11-4-3-5-11/h11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile?
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63915100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).