2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile

C13H28N4 — CID 102996417

IUPAC2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
SMILESCCN(CCCN(C)C)C(C)CC(C)(N)C#N
InChIInChI=1S/C13H28N4/c1-6-17(9-7-8-16(4)5)12(2)10-13(3,15)11-14/h12H,6-10,15H2,1-5H3
InChIKeyDEJPJGXRLQYNEC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.28
Rot. Bonds8

About 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile

2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile (PubChem CID 102996417) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
PubChem CID102996417
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
SMILESCCN(CCCN(C)C)C(C)CC(C)(N)C#N
InChIInChI=1S/C13H28N4/c1-6-17(9-7-8-16(4)5)12(2)10-13(3,15)11-14/h12H,6-10,15H2,1-5H3
InChIKeyDEJPJGXRLQYNEC-UHFFFAOYSA-N
XLogP1.28
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
CID 64727930
2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
CID 64727066
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
2-amino-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63699790
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103190875
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 64727498
2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
CID 64798812
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanenitrile
CID 81062003
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79849868

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile (CID 102996417) is 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile is CCN(CCCN(C)C)C(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile?
The InChIKey is DEJPJGXRLQYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-6-17(9-7-8-16(4)5)12(2)10-13(3,15)11-14/h12H,6-10,15H2,1-5H3.
What are the key properties of 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile?
2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile has a molecular weight of 240.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile is sourced from PubChem (CID 102996417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).