3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile

C12H25N3O — CID 81062010

IUPAC3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CN(C)CCOC(C)C
InChIInChI=1S/C12H25N3O/c1-10(2)14-12(8-13)9-15(5)6-7-16-11(3)4/h10-12,14H,6-7,9H2,1-5H3
InChIKeyANNPRNOWJVTSFI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.23
Rot. Bonds8

About 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile

3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 81062010) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID81062010
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CN(C)CCOC(C)C
InChIInChI=1S/C12H25N3O/c1-10(2)14-12(8-13)9-15(5)6-7-16-11(3)4/h10-12,14H,6-7,9H2,1-5H3
InChIKeyANNPRNOWJVTSFI-UHFFFAOYSA-N
XLogP1.23
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile (CID 81062010) is 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)CN(C)CCOC(C)C.
What is the InChIKey of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is ANNPRNOWJVTSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)14-12(8-13)9-15(5)6-7-16-11(3)4/h10-12,14H,6-7,9H2,1-5H3.
What are the key properties of 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 227.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 81062010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).