3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

C14H25N3 — CID 63913080

IUPAC3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCC(C)N(C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3
InChIKeyNREBIKMVFQBRHL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds7

About 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (PubChem CID 63913080) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
PubChem CID63913080
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCC(C)N(C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3
InChIKeyNREBIKMVFQBRHL-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
CID 63912235
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492
2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
CID 63914454
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748
3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907116
2-[2-cyano-2-cyclopropyl-2-(cyclopropylamino)ethyl]sulfanyl-N,N-dimethylacetamide
CID 114234346
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008
2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
CID 63907936
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
CID 113418576

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (CID 63913080) is 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is CCC(C)N(C)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The InChIKey is NREBIKMVFQBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-11(2)17(3)10-14(9-15,12-5-6-12)16-13-7-8-13/h11-13,16H,4-8,10H2,1-3H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 63913080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).