2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile

C12H21N3 — CID 63914612

IUPAC2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
SMILESCC(C1CC1)N(C)CC(N)(C#N)C1CC1
InChIInChI=1S/C12H21N3/c1-9(10-3-4-10)15(2)8-12(14,7-13)11-5-6-11/h9-11H,3-6,8,14H2,1-2H3
InChIKeyPDBMTSQWOJBWMM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile

2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile (PubChem CID 63914612) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
PubChem CID63914612
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
SMILESCC(C1CC1)N(C)CC(N)(C#N)C1CC1
InChIInChI=1S/C12H21N3/c1-9(10-3-4-10)15(2)8-12(14,7-13)11-5-6-11/h9-11H,3-6,8,14H2,1-2H3
InChIKeyPDBMTSQWOJBWMM-UHFFFAOYSA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912233
2-Cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912453
2-Cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887
2-Amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63913108
2-Cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63913326
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanenitrile
CID 63913549
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63913765
2-Amino-2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63913981
2-Cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63913982
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)propanenitrile
CID 63914199
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
2-Amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63914845

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile (CID 63914612) is 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile is CC(C1CC1)N(C)CC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile?
The InChIKey is PDBMTSQWOJBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(10-3-4-10)15(2)8-12(14,7-13)11-5-6-11/h9-11H,3-6,8,14H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile has a molecular weight of 207.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 63914612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).