2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile

C11H24N4 — CID 103190875

IUPAC2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)(N)C#N)C(C)CN(C)C
InChIInChI=1S/C11H24N4/c1-6-15(9-11(3,13)8-12)10(2)7-14(4)5/h10H,6-7,9,13H2,1-5H3
InChIKeyPVGBLEUISTUWAC-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.50
Rot. Bonds6

About 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile

2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile (PubChem CID 103190875) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
PubChem CID103190875
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)(N)C#N)C(C)CN(C)C
InChIInChI=1S/C11H24N4/c1-6-15(9-11(3,13)8-12)10(2)7-14(4)5/h10H,6-7,9,13H2,1-5H3
InChIKeyPVGBLEUISTUWAC-UHFFFAOYSA-N
XLogP0.50
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
CID 103190936
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
CID 102996417
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911
N-[1-(dimethylamino)propan-2-yl]-N,N',2-triethyl-2-methylpropane-1,3-diamine
CID 103191319
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
CID 103190848
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 103191300
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
2-amino-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63699790

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile (CID 103190875) is 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile is CCN(CC(C)(N)C#N)C(C)CN(C)C.
What is the InChIKey of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
The InChIKey is PVGBLEUISTUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-6-15(9-11(3,13)8-12)10(2)7-14(4)5/h10H,6-7,9,13H2,1-5H3.
What are the key properties of 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile?
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile has a molecular weight of 212.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 103190875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).