2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine

C7H16N6O — CID 167629180

IUPAC2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine
SMILESNC(N)=NCCCC(=O)CN=C(N)N
InChIInChI=1S/C7H16N6O/c8-6(9)12-3-1-2-5(14)4-13-7(10)11/h1-4H2,(H4,8,9,12)(H4,10,11,13)
InChIKeyNNSOYSGIKUHSIF-UHFFFAOYSA-N
MW200.25 g/mol
LogP-2.12
Rot. Bonds6

About 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine

2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine (PubChem CID 167629180) has the molecular formula C7H16N6O and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine.

Molecular Properties

Compound Name2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine
PubChem CID167629180
Molecular FormulaC7H16N6O
Molecular Weight200.25 g/mol
Exact Mass200.14
IUPAC Name2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine
SMILESNC(N)=NCCCC(=O)CN=C(N)N
InChIInChI=1S/C7H16N6O/c8-6(9)12-3-1-2-5(14)4-13-7(10)11/h1-4H2,(H4,8,9,12)(H4,10,11,13)
InChIKeyNNSOYSGIKUHSIF-UHFFFAOYSA-N
XLogP-2.12
TPSA145.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine?
The IUPAC name of 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine (CID 167629180) is 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine.
What is the SMILES notation for 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine?
The canonical SMILES for 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine is NC(N)=NCCCC(=O)CN=C(N)N.
What is the InChIKey of 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine?
The InChIKey is NNSOYSGIKUHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O/c8-6(9)12-3-1-2-5(14)4-13-7(10)11/h1-4H2,(H4,8,9,12)(H4,10,11,13).
What are the key properties of 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine?
2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine has a molecular weight of 200.25 g/mol, XLogP of -2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diaminomethylideneamino)-2-oxopentyl]guanidine is sourced from PubChem (CID 167629180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).