3-[amino(methyl)amino]-2,2-dimethylpropanenitrile

C6H13N3 — CID 148789999

IUPAC3-[amino(methyl)amino]-2,2-dimethylpropanenitrile
SMILESCN(N)CC(C)(C)C#N
InChIInChI=1S/C6H13N3/c1-6(2,4-7)5-9(3)8/h5,8H2,1-3H3
InChIKeyOLYYLBQSOKKYOB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.34
Rot. Bonds2

About 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile

3-[amino(methyl)amino]-2,2-dimethylpropanenitrile (PubChem CID 148789999) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[amino(methyl)amino]-2,2-dimethylpropanenitrile
PubChem CID148789999
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-[amino(methyl)amino]-2,2-dimethylpropanenitrile
SMILESCN(N)CC(C)(C)C#N
InChIInChI=1S/C6H13N3/c1-6(2,4-7)5-9(3)8/h5,8H2,1-3H3
InChIKeyOLYYLBQSOKKYOB-UHFFFAOYSA-N
XLogP0.34
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile (CID 148789999) is 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile is CN(N)CC(C)(C)C#N.
What is the InChIKey of 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile?
The InChIKey is OLYYLBQSOKKYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2,4-7)5-9(3)8/h5,8H2,1-3H3.
What are the key properties of 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile?
3-[amino(methyl)amino]-2,2-dimethylpropanenitrile has a molecular weight of 127.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 148789999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).