1-(propan-2-ylideneamino)-3-propylurea

C7H15N3O — CID 130683440

IUPAC1-(propan-2-ylideneamino)-3-propylurea
SMILESCCCNC(=O)NN=C(C)C
InChIInChI=1S/C7H15N3O/c1-4-5-8-7(11)10-9-6(2)3/h4-5H2,1-3H3,(H2,8,10,11)
InChIKeyHYEZCDWSDBVUHW-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.09
Rot. Bonds3

About 1-(propan-2-ylideneamino)-3-propylurea

1-(propan-2-ylideneamino)-3-propylurea (PubChem CID 130683440) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)-3-propylurea.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)-3-propylurea
PubChem CID130683440
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(propan-2-ylideneamino)-3-propylurea
SMILESCCCNC(=O)NN=C(C)C
InChIInChI=1S/C7H15N3O/c1-4-5-8-7(11)10-9-6(2)3/h4-5H2,1-3H3,(H2,8,10,11)
InChIKeyHYEZCDWSDBVUHW-UHFFFAOYSA-N
XLogP1.09
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-(propan-2-ylideneamino)-3-propylurea?
The IUPAC name of 1-(propan-2-ylideneamino)-3-propylurea (CID 130683440) is 1-(propan-2-ylideneamino)-3-propylurea.
What is the SMILES notation for 1-(propan-2-ylideneamino)-3-propylurea?
The canonical SMILES for 1-(propan-2-ylideneamino)-3-propylurea is CCCNC(=O)NN=C(C)C.
What is the InChIKey of 1-(propan-2-ylideneamino)-3-propylurea?
The InChIKey is HYEZCDWSDBVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4-5-8-7(11)10-9-6(2)3/h4-5H2,1-3H3,(H2,8,10,11).
What are the key properties of 1-(propan-2-ylideneamino)-3-propylurea?
1-(propan-2-ylideneamino)-3-propylurea has a molecular weight of 157.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)-3-propylurea is sourced from PubChem (CID 130683440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).