dipropylcyanamide

C7H14N2 — CID 12683494

IUPACdipropylcyanamide
SMILESCCCN(C#N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-9(7-8)6-4-2/h3-6H2,1-2H3
InChIKeyJAMAIRVUEDZCTM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.59
Rot. Bonds4

About dipropylcyanamide

dipropylcyanamide (PubChem CID 12683494) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is dipropylcyanamide.

Molecular Properties

Compound Namedipropylcyanamide
PubChem CID12683494
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namedipropylcyanamide
SMILESCCCN(C#N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-9(7-8)6-4-2/h3-6H2,1-2H3
InChIKeyJAMAIRVUEDZCTM-UHFFFAOYSA-N
XLogP1.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
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 dipropylcyanamide?
The IUPAC name of dipropylcyanamide (CID 12683494) is dipropylcyanamide.
What is the SMILES notation for dipropylcyanamide?
The canonical SMILES for dipropylcyanamide is CCCN(C#N)CCC.
What is the InChIKey of dipropylcyanamide?
The InChIKey is JAMAIRVUEDZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-9(7-8)6-4-2/h3-6H2,1-2H3.
What are the key properties of dipropylcyanamide?
dipropylcyanamide has a molecular weight of 126.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylcyanamide is sourced from PubChem (CID 12683494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).