1-(1-aminoethylidene)-3-propan-2-ylurea

C6H13N3O — CID 123322101

IUPAC1-(1-aminoethylidene)-3-propan-2-ylurea
SMILESCC(N)=NC(=O)NC(C)C
InChIInChI=1S/C6H13N3O/c1-4(2)8-6(10)9-5(3)7/h4H,1-3H3,(H3,7,8,9,10)
InChIKeyKBNMVRLEEQNSEY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds1

About 1-(1-aminoethylidene)-3-propan-2-ylurea

1-(1-aminoethylidene)-3-propan-2-ylurea (PubChem CID 123322101) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(1-aminoethylidene)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-aminoethylidene)-3-propan-2-ylurea
PubChem CID123322101
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-(1-aminoethylidene)-3-propan-2-ylurea
SMILESCC(N)=NC(=O)NC(C)C
InChIInChI=1S/C6H13N3O/c1-4(2)8-6(10)9-5(3)7/h4H,1-3H3,(H3,7,8,9,10)
InChIKeyKBNMVRLEEQNSEY-UHFFFAOYSA-N
XLogP0.48
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylidene)-3-propan-2-ylurea?
The IUPAC name of 1-(1-aminoethylidene)-3-propan-2-ylurea (CID 123322101) is 1-(1-aminoethylidene)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-aminoethylidene)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-aminoethylidene)-3-propan-2-ylurea is CC(N)=NC(=O)NC(C)C.
What is the InChIKey of 1-(1-aminoethylidene)-3-propan-2-ylurea?
The InChIKey is KBNMVRLEEQNSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(2)8-6(10)9-5(3)7/h4H,1-3H3,(H3,7,8,9,10).
What are the key properties of 1-(1-aminoethylidene)-3-propan-2-ylurea?
1-(1-aminoethylidene)-3-propan-2-ylurea has a molecular weight of 143.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylidene)-3-propan-2-ylurea is sourced from PubChem (CID 123322101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).