2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine

C9H15N7 — CID 3062060

IUPAC2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(CN=C(N)N)n1
InChIInChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyAJZJXPNIFWAHHT-UHFFFAOYSA-N
MW221.27 g/mol
LogP-1.37
Rot. Bonds4

About 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine

2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine (PubChem CID 3062060) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine
PubChem CID3062060
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(CN=C(N)N)n1
InChIInChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyAJZJXPNIFWAHHT-UHFFFAOYSA-N
XLogP-1.37
TPSA141.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine?
The IUPAC name of 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine (CID 3062060) is 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine.
What is the SMILES notation for 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine?
The canonical SMILES for 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine is NC(N)=NCc1cccc(CN=C(N)N)n1.
What is the InChIKey of 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine?
The InChIKey is AJZJXPNIFWAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15).
What are the key properties of 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine?
2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine has a molecular weight of 221.27 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine is sourced from PubChem (CID 3062060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).