1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea

C6H14N4O — CID 58685097

IUPAC1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea
SMILESCCNC(=O)N/N=C(\C)CN
InChIInChI=1S/C6H14N4O/c1-3-8-6(11)10-9-5(2)4-7/h3-4,7H2,1-2H3,(H2,8,10,11)/b9-5+
InChIKeyFWERMMGEIIKICP-WEVVVXLNSA-N
MW158.21 g/mol
LogP-0.36
Rot. Bonds3

About 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea

1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea (PubChem CID 58685097) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea.

Molecular Properties

Compound Name1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea
PubChem CID58685097
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea
SMILESCCNC(=O)N/N=C(\C)CN
InChIInChI=1S/C6H14N4O/c1-3-8-6(11)10-9-5(2)4-7/h3-4,7H2,1-2H3,(H2,8,10,11)/b9-5+
InChIKeyFWERMMGEIIKICP-WEVVVXLNSA-N
XLogP-0.36
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea?
The IUPAC name of 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea (CID 58685097) is 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea.
What is the SMILES notation for 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea?
The canonical SMILES for 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea is CCNC(=O)N/N=C(\C)CN.
What is the InChIKey of 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea?
The InChIKey is FWERMMGEIIKICP-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H14N4O/c1-3-8-6(11)10-9-5(2)4-7/h3-4,7H2,1-2H3,(H2,8,10,11)/b9-5+.
What are the key properties of 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea?
1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea has a molecular weight of 158.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea is sourced from PubChem (CID 58685097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).