2-methylpropylcyanamide

C5H10N2 — CID 21399032

IUPAC2-methylpropylcyanamide
SMILESCC(C)CNC#N
InChIInChI=1S/C5H10N2/c1-5(2)3-7-4-6/h5,7H,3H2,1-2H3
InChIKeyOMGNVIJEQKWIHI-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.71
Rot. Bonds2

About 2-methylpropylcyanamide

2-methylpropylcyanamide (PubChem CID 21399032) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-methylpropylcyanamide.

Molecular Properties

Compound Name2-methylpropylcyanamide
PubChem CID21399032
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-methylpropylcyanamide
SMILESCC(C)CNC#N
InChIInChI=1S/C5H10N2/c1-5(2)3-7-4-6/h5,7H,3H2,1-2H3
InChIKeyOMGNVIJEQKWIHI-UHFFFAOYSA-N
XLogP0.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylcyanamide?
The IUPAC name of 2-methylpropylcyanamide (CID 21399032) is 2-methylpropylcyanamide.
What is the SMILES notation for 2-methylpropylcyanamide?
The canonical SMILES for 2-methylpropylcyanamide is CC(C)CNC#N.
What is the InChIKey of 2-methylpropylcyanamide?
The InChIKey is OMGNVIJEQKWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(2)3-7-4-6/h5,7H,3H2,1-2H3.
What are the key properties of 2-methylpropylcyanamide?
2-methylpropylcyanamide has a molecular weight of 98.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylcyanamide is sourced from PubChem (CID 21399032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).