3-[2-(3-aminopropylamino)ethylamino]propanenitrile

C8H18N4 — CID 87435934

IUPAC3-[2-(3-aminopropylamino)ethylamino]propanenitrile
SMILESN#CCCNCCNCCCN
InChIInChI=1S/C8H18N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-3,5-9H2
InChIKeyUDBBPOHVRDIERQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.57
Rot. Bonds8

About 3-[2-(3-aminopropylamino)ethylamino]propanenitrile

3-[2-(3-aminopropylamino)ethylamino]propanenitrile (PubChem CID 87435934) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[2-(3-aminopropylamino)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-(3-aminopropylamino)ethylamino]propanenitrile
PubChem CID87435934
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-[2-(3-aminopropylamino)ethylamino]propanenitrile
SMILESN#CCCNCCNCCCN
InChIInChI=1S/C8H18N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-3,5-9H2
InChIKeyUDBBPOHVRDIERQ-UHFFFAOYSA-N
XLogP-0.57
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(10-aminodecylamino)propanenitrile
CID 129353819
3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
CID 174815402
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
2-(3-aminopropylamino)acetonitrile
CID 62273668
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
2-[2-(2-aminoethylamino)ethylamino]acetonitrile
CID 55285258
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
3-(hex-5-ynylamino)propanenitrile
CID 106211843
3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
CID 102421593

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropylamino)ethylamino]propanenitrile?
The IUPAC name of 3-[2-(3-aminopropylamino)ethylamino]propanenitrile (CID 87435934) is 3-[2-(3-aminopropylamino)ethylamino]propanenitrile.
What is the SMILES notation for 3-[2-(3-aminopropylamino)ethylamino]propanenitrile?
The canonical SMILES for 3-[2-(3-aminopropylamino)ethylamino]propanenitrile is N#CCCNCCNCCCN.
What is the InChIKey of 3-[2-(3-aminopropylamino)ethylamino]propanenitrile?
The InChIKey is UDBBPOHVRDIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-3,5-9H2.
What are the key properties of 3-[2-(3-aminopropylamino)ethylamino]propanenitrile?
3-[2-(3-aminopropylamino)ethylamino]propanenitrile has a molecular weight of 170.26 g/mol, XLogP of -0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropylamino)ethylamino]propanenitrile is sourced from PubChem (CID 87435934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).