3-[(3-amino-2-methylpropyl)amino]propanenitrile

C7H15N3 — CID 130604402

IUPAC3-[(3-amino-2-methylpropyl)amino]propanenitrile
SMILESCC(CN)CNCCC#N
InChIInChI=1S/C7H15N3/c1-7(5-9)6-10-4-2-3-8/h7,10H,2,4-6,9H2,1H3
InChIKeyYIJGPZCKXYMVRQ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.08
Rot. Bonds5

About 3-[(3-amino-2-methylpropyl)amino]propanenitrile

3-[(3-amino-2-methylpropyl)amino]propanenitrile (PubChem CID 130604402) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-[(3-amino-2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-amino-2-methylpropyl)amino]propanenitrile
PubChem CID130604402
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-[(3-amino-2-methylpropyl)amino]propanenitrile
SMILESCC(CN)CNCCC#N
InChIInChI=1S/C7H15N3/c1-7(5-9)6-10-4-2-3-8/h7,10H,2,4-6,9H2,1H3
InChIKeyYIJGPZCKXYMVRQ-UHFFFAOYSA-N
XLogP0.08
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,6-diamino-5-methylhexyl)amino]propanenitrile
CID 101282877
3-(2-cyanoethylamino)propanenitrile
CID 160846337
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile
CID 141318253
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
CID 102905397
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
3-(10-aminodecylamino)propanenitrile
CID 129353819

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(3-amino-2-methylpropyl)amino]propanenitrile (CID 130604402) is 3-[(3-amino-2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-amino-2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-amino-2-methylpropyl)amino]propanenitrile is CC(CN)CNCCC#N.
What is the InChIKey of 3-[(3-amino-2-methylpropyl)amino]propanenitrile?
The InChIKey is YIJGPZCKXYMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(5-9)6-10-4-2-3-8/h7,10H,2,4-6,9H2,1H3.
What are the key properties of 3-[(3-amino-2-methylpropyl)amino]propanenitrile?
3-[(3-amino-2-methylpropyl)amino]propanenitrile has a molecular weight of 141.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 130604402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).