2-(3-aminopropylamino)acetonitrile

C5H11N3 — CID 62273668

IUPAC2-(3-aminopropylamino)acetonitrile
SMILESN#CCNCCCN
InChIInChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1-2,4-6H2
InChIKeyDKQMDHZQVJPVOK-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.55
Rot. Bonds4

About 2-(3-aminopropylamino)acetonitrile

2-(3-aminopropylamino)acetonitrile (PubChem CID 62273668) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(3-aminopropylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-aminopropylamino)acetonitrile
PubChem CID62273668
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-(3-aminopropylamino)acetonitrile
SMILESN#CCNCCCN
InChIInChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1-2,4-6H2
InChIKeyDKQMDHZQVJPVOK-UHFFFAOYSA-N
XLogP-0.55
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethylamino)ethylamino]acetonitrile
CID 55285258
4-(cyanomethylamino)butanenitrile
CID 91395805
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
2-(nonylamino)acetonitrile
CID 151643365
2-(aminomethylamino)acetonitrile
CID 54405021
2-(hexylamino)acetonitrile;hydrochloride
CID 22259892
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
3-(10-aminodecylamino)propanenitrile
CID 129353819
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)acetonitrile?
The IUPAC name of 2-(3-aminopropylamino)acetonitrile (CID 62273668) is 2-(3-aminopropylamino)acetonitrile.
What is the SMILES notation for 2-(3-aminopropylamino)acetonitrile?
The canonical SMILES for 2-(3-aminopropylamino)acetonitrile is N#CCNCCCN.
What is the InChIKey of 2-(3-aminopropylamino)acetonitrile?
The InChIKey is DKQMDHZQVJPVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1-2,4-6H2.
What are the key properties of 2-(3-aminopropylamino)acetonitrile?
2-(3-aminopropylamino)acetonitrile has a molecular weight of 113.16 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)acetonitrile is sourced from PubChem (CID 62273668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).