1-(cyanomethyl)-3,3-diethyl-1-propylurea

C10H19N3O — CID 79161064

IUPAC1-(cyanomethyl)-3,3-diethyl-1-propylurea
SMILESCCCN(CC#N)C(=O)N(CC)CC
InChIInChI=1S/C10H19N3O/c1-4-8-13(9-7-11)10(14)12(5-2)6-3/h4-6,8-9H2,1-3H3
InChIKeyQINVFZNHTAZZJG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds5

About 1-(cyanomethyl)-3,3-diethyl-1-propylurea

1-(cyanomethyl)-3,3-diethyl-1-propylurea (PubChem CID 79161064) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(cyanomethyl)-3,3-diethyl-1-propylurea.

Molecular Properties

Compound Name1-(cyanomethyl)-3,3-diethyl-1-propylurea
PubChem CID79161064
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(cyanomethyl)-3,3-diethyl-1-propylurea
SMILESCCCN(CC#N)C(=O)N(CC)CC
InChIInChI=1S/C10H19N3O/c1-4-8-13(9-7-11)10(14)12(5-2)6-3/h4-6,8-9H2,1-3H3
InChIKeyQINVFZNHTAZZJG-UHFFFAOYSA-N
XLogP1.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-3,3-diethyl-1-propylurea?
The IUPAC name of 1-(cyanomethyl)-3,3-diethyl-1-propylurea (CID 79161064) is 1-(cyanomethyl)-3,3-diethyl-1-propylurea.
What is the SMILES notation for 1-(cyanomethyl)-3,3-diethyl-1-propylurea?
The canonical SMILES for 1-(cyanomethyl)-3,3-diethyl-1-propylurea is CCCN(CC#N)C(=O)N(CC)CC.
What is the InChIKey of 1-(cyanomethyl)-3,3-diethyl-1-propylurea?
The InChIKey is QINVFZNHTAZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-8-13(9-7-11)10(14)12(5-2)6-3/h4-6,8-9H2,1-3H3.
What are the key properties of 1-(cyanomethyl)-3,3-diethyl-1-propylurea?
1-(cyanomethyl)-3,3-diethyl-1-propylurea has a molecular weight of 197.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-3,3-diethyl-1-propylurea is sourced from PubChem (CID 79161064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).