3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile

C7H13N3 — CID 173439152

IUPAC3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile
SMILESCC(N)=CNCC(C)C#N
InChIInChI=1S/C7H13N3/c1-6(3-8)4-10-5-7(2)9/h5-6,10H,4,9H2,1-2H3
InChIKeyDRTCQXREDMCSDH-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.56
Rot. Bonds3

About 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile

3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile (PubChem CID 173439152) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile
PubChem CID173439152
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile
SMILESCC(N)=CNCC(C)C#N
InChIInChI=1S/C7H13N3/c1-6(3-8)4-10-5-7(2)9/h5-6,10H,4,9H2,1-2H3
InChIKeyDRTCQXREDMCSDH-UHFFFAOYSA-N
XLogP0.56
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile?
The IUPAC name of 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile (CID 173439152) is 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile is CC(N)=CNCC(C)C#N.
What is the InChIKey of 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile?
The InChIKey is DRTCQXREDMCSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(3-8)4-10-5-7(2)9/h5-6,10H,4,9H2,1-2H3.
What are the key properties of 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile?
3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile has a molecular weight of 139.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoprop-1-enylamino)-2-methylpropanenitrile is sourced from PubChem (CID 173439152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).