3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile

C8H18N4 — CID 88621674

IUPAC3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile
SMILESCN(C)C(N)CCNCCC#N
InChIInChI=1S/C8H18N4/c1-12(2)8(10)4-7-11-6-3-5-9/h8,11H,3-4,6-7,10H2,1-2H3
InChIKeyPGXZWYKAMMBKNV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.27
Rot. Bonds6

About 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile

3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile (PubChem CID 88621674) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile
PubChem CID88621674
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile
SMILESCN(C)C(N)CCNCCC#N
InChIInChI=1S/C8H18N4/c1-12(2)8(10)4-7-11-6-3-5-9/h8,11H,3-4,6-7,10H2,1-2H3
InChIKeyPGXZWYKAMMBKNV-UHFFFAOYSA-N
XLogP-0.27
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile 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

3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-[(3,6-diamino-5-methylhexyl)amino]propanenitrile
CID 101282877
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
3-[(3-amino-2-methylpropyl)amino]propanenitrile
CID 130604402
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290
3-(10-aminodecylamino)propanenitrile
CID 129353819
3-[2-(4-cyanobutylamino)ethyl]-1,1-dimethylurea
CID 83121561
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
CID 174815402
3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
CID 102421593
3-[4-[bis(2-cyanoethyl)amino]butylamino]propanenitrile
CID 100994583
3-[2-(2-cyanoethoxy)ethylamino]propanenitrile
CID 13446506

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile?
The IUPAC name of 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile (CID 88621674) is 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile.
What is the SMILES notation for 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile?
The canonical SMILES for 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile is CN(C)C(N)CCNCCC#N.
What is the InChIKey of 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile?
The InChIKey is PGXZWYKAMMBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-12(2)8(10)4-7-11-6-3-5-9/h8,11H,3-4,6-7,10H2,1-2H3.
What are the key properties of 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile?
3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile has a molecular weight of 170.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile is sourced from PubChem (CID 88621674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).