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

C12H23N3 — CID 63965348

IUPAC2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
SMILESCCC(C)(C)N(C)CC(C#N)NC1CC1
InChIInChI=1S/C12H23N3/c1-5-12(2,3)15(4)9-11(8-13)14-10-6-7-10/h10-11,14H,5-7,9H2,1-4H3
InChIKeyZCUHOQLKDFQJFE-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds6

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

2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile (PubChem CID 63965348) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
PubChem CID63965348
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
SMILESCCC(C)(C)N(C)CC(C#N)NC1CC1
InChIInChI=1S/C12H23N3/c1-5-12(2,3)15(4)9-11(8-13)14-10-6-7-10/h10-11,14H,5-7,9H2,1-4H3
InChIKeyZCUHOQLKDFQJFE-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[methyl(2-methylbutan-2-yl)amino]butanenitrile
CID 63966890
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile
CID 82961124
2-(cyclopropylamino)-4-pentoxybutanenitrile
CID 63029424
2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
CID 63165674
2-(cyclopentylamino)-3-hydroxypropanenitrile
CID 104711189
2-(cyclohexylamino)nonanenitrile
CID 54894188
2-(cyclopropylamino)-4-(2-methylpropylsulfanyl)butanenitrile
CID 63052997
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79573474
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile
CID 106204150
2-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)propanenitrile
CID 103537877

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile (CID 63965348) is 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile is CCC(C)(C)N(C)CC(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The InChIKey is ZCUHOQLKDFQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(2,3)15(4)9-11(8-13)14-10-6-7-10/h10-11,14H,5-7,9H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[methyl(2-methylbutan-2-yl)amino]propanenitrile is sourced from PubChem (CID 63965348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).