2-[7-(diaminomethylideneamino)heptyl]guanidine

C9H22N6 — CID 10104702

IUPAC2-[7-(diaminomethylideneamino)heptyl]guanidine
SMILESNC(N)=NCCCCCCCN=C(N)N
InChIInChI=1S/C9H22N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-7H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyOEYZRZQNTMPUOQ-UHFFFAOYSA-N
MW214.32 g/mol
LogP-0.52
Rot. Bonds8

About 2-[7-(diaminomethylideneamino)heptyl]guanidine

2-[7-(diaminomethylideneamino)heptyl]guanidine (PubChem CID 10104702) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-[7-(diaminomethylideneamino)heptyl]guanidine.

Molecular Properties

Compound Name2-[7-(diaminomethylideneamino)heptyl]guanidine
PubChem CID10104702
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC Name2-[7-(diaminomethylideneamino)heptyl]guanidine
SMILESNC(N)=NCCCCCCCN=C(N)N
InChIInChI=1S/C9H22N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-7H2,(H4,10,11,14)(H4,12,13,15)
InChIKeyOEYZRZQNTMPUOQ-UHFFFAOYSA-N
XLogP-0.52
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[7-(diaminomethylideneamino)heptyl]guanidine?
The IUPAC name of 2-[7-(diaminomethylideneamino)heptyl]guanidine (CID 10104702) is 2-[7-(diaminomethylideneamino)heptyl]guanidine.
What is the SMILES notation for 2-[7-(diaminomethylideneamino)heptyl]guanidine?
The canonical SMILES for 2-[7-(diaminomethylideneamino)heptyl]guanidine is NC(N)=NCCCCCCCN=C(N)N.
What is the InChIKey of 2-[7-(diaminomethylideneamino)heptyl]guanidine?
The InChIKey is OEYZRZQNTMPUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-7H2,(H4,10,11,14)(H4,12,13,15).
What are the key properties of 2-[7-(diaminomethylideneamino)heptyl]guanidine?
2-[7-(diaminomethylideneamino)heptyl]guanidine has a molecular weight of 214.32 g/mol, XLogP of -0.52, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diaminomethylideneamino)heptyl]guanidine is sourced from PubChem (CID 10104702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).