1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea

C7H17N5O2 — CID 89008327

IUPAC1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea
SMILESCCNC(=O)N(O)CCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c1-2-10-7(13)12(14)5-3-4-11-6(8)9/h14H,2-5H2,1H3,(H,10,13)(H4,8,9,11)
InChIKeyFZNPQVAJLBZSMP-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.93
Rot. Bonds5

About 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea

1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea (PubChem CID 89008327) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea.

Molecular Properties

Compound Name1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea
PubChem CID89008327
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Name1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea
SMILESCCNC(=O)N(O)CCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c1-2-10-7(13)12(14)5-3-4-11-6(8)9/h14H,2-5H2,1H3,(H,10,13)(H4,8,9,11)
InChIKeyFZNPQVAJLBZSMP-UHFFFAOYSA-N
XLogP-0.93
TPSA116.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea?
The IUPAC name of 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea (CID 89008327) is 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea.
What is the SMILES notation for 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea?
The canonical SMILES for 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea is CCNC(=O)N(O)CCCN=C(N)N.
What is the InChIKey of 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea?
The InChIKey is FZNPQVAJLBZSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O2/c1-2-10-7(13)12(14)5-3-4-11-6(8)9/h14H,2-5H2,1H3,(H,10,13)(H4,8,9,11).
What are the key properties of 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea?
1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea has a molecular weight of 203.25 g/mol, XLogP of -0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diaminomethylideneamino)propyl]-3-ethyl-1-hydroxyurea is sourced from PubChem (CID 89008327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).