1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea

C6H14N4O — CID 130944218

IUPAC1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
SMILESCNC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H14N4O/c1-5(7)9-3-4-10-6(11)8-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10,11)
InChIKeySMUIMKKKRYVLIO-UHFFFAOYSA-N
MW158.21 g/mol
LogP-0.71
Rot. Bonds3

About 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea

1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea (PubChem CID 130944218) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
PubChem CID130944218
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
SMILESCNC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H14N4O/c1-5(7)9-3-4-10-6(11)8-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10,11)
InChIKeySMUIMKKKRYVLIO-UHFFFAOYSA-N
XLogP-0.71
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,5-dihydro-1H-imidazol-2-one
CID 20146750
N-guanyl-N'-ethylurea
CID 20160516
4,5-dihydro-1H-imidazol-2-ylmethylurea
CID 57073785
2-(Diaminomethylideneamino)ethylurea
CID 83120886
1-Ethyl-3-[1-(methylideneamino)ethylidene]urea
CID 91113919
1-[2-(Diaminomethylideneamino)ethyl]-3-methylurea
CID 121342487
1-[1-(Carbamoylamino)ethylidene]-3-methylurea
CID 123859378
2-Methyl-3,6,7,8-tetrahydroimidazo[1,2-a][1,3,5]triazin-5-ium-4-one
CID 136089011
4-Propyliminoimidazolidin-2-one
CID 140604924
4-Ethyliminoimidazolidin-2-one
CID 140604957
4-Methyliminoimidazolidin-2-one
CID 141260926
1-(2,3-Dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen
CID 142923244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea (CID 130944218) is 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea is CNC(=O)NCC/N=C(\C)N.
What is the InChIKey of 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea?
The InChIKey is SMUIMKKKRYVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-5(7)9-3-4-10-6(11)8-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10,11).
What are the key properties of 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea?
1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea has a molecular weight of 158.21 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea is sourced from PubChem (CID 130944218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).