2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile

C13H25N3 — CID 63912896

IUPAC2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
SMILESCC(N(C)CC(N)(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-10(12(2,3)4)16(5)9-13(15,8-14)11-6-7-11/h10-11H,6-7,9,15H2,1-5H3
InChIKeyHLFLOZRLEGXTSJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile

2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile (PubChem CID 63912896) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
PubChem CID63912896
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
SMILESCC(N(C)CC(N)(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-10(12(2,3)4)16(5)9-13(15,8-14)11-6-7-11/h10-11H,6-7,9,15H2,1-5H3
InChIKeyHLFLOZRLEGXTSJ-UHFFFAOYSA-N
XLogP1.98
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile (CID 63912896) is 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile is CC(N(C)CC(N)(C#N)C1CC1)C(C)(C)C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The InChIKey is HLFLOZRLEGXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(12(2,3)4)16(5)9-13(15,8-14)11-6-7-11/h10-11H,6-7,9,15H2,1-5H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
2-amino-2-cyclopropyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile has a molecular weight of 223.36 g/mol, XLogP of 1.98, 4 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-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile is sourced from PubChem (CID 63912896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).