3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile

C8H15N3 — CID 80562417

IUPAC3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CC(N)C1
InChIInChI=1S/C8H15N3/c1-6(4-9)5-11-8-2-7(10)3-8/h6-8,11H,2-3,5,10H2,1H3
InChIKeyWGWNDWNXNVFSLH-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.23
Rot. Bonds3

About 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile

3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile (PubChem CID 80562417) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
PubChem CID80562417
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CC(N)C1
InChIInChI=1S/C8H15N3/c1-6(4-9)5-11-8-2-7(10)3-8/h6-8,11H,2-3,5,10H2,1H3
InChIKeyWGWNDWNXNVFSLH-UHFFFAOYSA-N
XLogP0.23
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile (CID 80562417) is 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile is CC(C#N)CNC1CC(N)C1.
What is the InChIKey of 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile?
The InChIKey is WGWNDWNXNVFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(4-9)5-11-8-2-7(10)3-8/h6-8,11H,2-3,5,10H2,1H3.
What are the key properties of 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile?
3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 80562417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).