2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile

C14H23N3 — CID 64522230

IUPAC2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(CC1CC1)C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-16-14(9-15,12-4-5-12)10-17(13-6-7-13)8-11-2-3-11/h11-13,16H,2-8,10H2,1H3
InChIKeyWZKMKJDBRTUMDQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.75
Rot. Bonds7

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

2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile (PubChem CID 64522230) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
PubChem CID64522230
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN(CC1CC1)C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-16-14(9-15,12-4-5-12)10-17(13-6-7-13)8-11-2-3-11/h11-13,16H,2-8,10H2,1H3
InChIKeyWZKMKJDBRTUMDQ-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.75
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
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63915100
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
CID 64522425
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanenitrile
CID 63912053
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024
2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
CID 63091460
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile (CID 64522230) is 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile is CNC(C#N)(CN(CC1CC1)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile?
The InChIKey is WZKMKJDBRTUMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-14(9-15,12-4-5-12)10-17(13-6-7-13)8-11-2-3-11/h11-13,16H,2-8,10H2,1H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile has a molecular weight of 233.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile is sourced from PubChem (CID 64522230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).