2-(1-aminoethylideneamino)ethylurea

C5H12N4O — CID 83118199

IUPAC2-(1-aminoethylideneamino)ethylurea
SMILESC/C(N)=N\CCNC(N)=O
InChIInChI=1S/C5H12N4O/c1-4(6)8-2-3-9-5(7)10/h2-3H2,1H3,(H2,6,8)(H3,7,9,10)
InChIKeyUVRLWJWYJDMSKE-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.97
Rot. Bonds3

About 2-(1-aminoethylideneamino)ethylurea

2-(1-aminoethylideneamino)ethylurea (PubChem CID 83118199) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)ethylurea.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)ethylurea
PubChem CID83118199
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-(1-aminoethylideneamino)ethylurea
SMILESC/C(N)=N\CCNC(N)=O
InChIInChI=1S/C5H12N4O/c1-4(6)8-2-3-9-5(7)10/h2-3H2,1H3,(H2,6,8)(H3,7,9,10)
InChIKeyUVRLWJWYJDMSKE-UHFFFAOYSA-N
XLogP-0.97
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.97
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-Methyl-6-(methylamino)-1,3,5-triazin-2-ol
CID 136000336
4-amino-2,5-dihydro-1H-imidazol-2-one
CID 20146750
1,3,5-Triazin-2(1H)-one, 4-(ethylamino)-6-methyl-
CID 135618156
N-guanyl-N'-ethylurea
CID 20160516
4-(Ethylamino)-1,6-dimethyl-1,3,5-triazin-2-one
CID 18334362
(1Z)-1-(1-aminoethylidene)-3-methylurea
CID 55289691
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-Aminoethylidene)-3-propan-2-ylurea
CID 123322101
3-(1-Aminoethylidene)-1-ethyl-1-methylurea
CID 123710252

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)ethylurea?
The IUPAC name of 2-(1-aminoethylideneamino)ethylurea (CID 83118199) is 2-(1-aminoethylideneamino)ethylurea.
What is the SMILES notation for 2-(1-aminoethylideneamino)ethylurea?
The canonical SMILES for 2-(1-aminoethylideneamino)ethylurea is C/C(N)=N\CCNC(N)=O.
What is the InChIKey of 2-(1-aminoethylideneamino)ethylurea?
The InChIKey is UVRLWJWYJDMSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4(6)8-2-3-9-5(7)10/h2-3H2,1H3,(H2,6,8)(H3,7,9,10).
What are the key properties of 2-(1-aminoethylideneamino)ethylurea?
2-(1-aminoethylideneamino)ethylurea has a molecular weight of 144.18 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)ethylurea is sourced from PubChem (CID 83118199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).