1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine

C9H20N6 — CID 176537412

IUPAC1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine
SMILES[H]/N=C(\N)NCCCC=CCCN=C(N)N
InChIInChI=1S/C9H20N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-2H,3-7H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyMYIBVIBSYPZYIS-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.53
Rot. Bonds7

About 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine

1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine (PubChem CID 176537412) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine.

Molecular Properties

Compound Name1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine
PubChem CID176537412
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC Name1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine
SMILES[H]/N=C(\N)NCCCC=CCCN=C(N)N
InChIInChI=1S/C9H20N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-2H,3-7H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyMYIBVIBSYPZYIS-UHFFFAOYSA-N
XLogP-0.53
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine?
The IUPAC name of 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine (CID 176537412) is 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine.
What is the SMILES notation for 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine?
The canonical SMILES for 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine is [H]/N=C(\N)NCCCC=CCCN=C(N)N.
What is the InChIKey of 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine?
The InChIKey is MYIBVIBSYPZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-2H,3-7H2,(H4,10,11,14)(H4,12,13,15).
What are the key properties of 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine?
1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine has a molecular weight of 212.30 g/mol, XLogP of -0.53, 7 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(diaminomethylideneamino)hept-4-enyl]guanidine is sourced from PubChem (CID 176537412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).