2-(5-amino-6-oxoheptyl)guanidine

C8H18N4O — CID 59582145

IUPAC2-(5-amino-6-oxoheptyl)guanidine
SMILESCC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-6(13)7(9)4-2-3-5-12-8(10)11/h7H,2-5,9H2,1H3,(H4,10,11,12)
InChIKeyDYUWIIWCSZFMSN-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.65
Rot. Bonds6

About 2-(5-amino-6-oxoheptyl)guanidine

2-(5-amino-6-oxoheptyl)guanidine (PubChem CID 59582145) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(5-amino-6-oxoheptyl)guanidine.

Molecular Properties

Compound Name2-(5-amino-6-oxoheptyl)guanidine
PubChem CID59582145
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-(5-amino-6-oxoheptyl)guanidine
SMILESCC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-6(13)7(9)4-2-3-5-12-8(10)11/h7H,2-5,9H2,1H3,(H4,10,11,12)
InChIKeyDYUWIIWCSZFMSN-UHFFFAOYSA-N
XLogP-0.65
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
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-amino-6-oxoheptyl)guanidine?
The IUPAC name of 2-(5-amino-6-oxoheptyl)guanidine (CID 59582145) is 2-(5-amino-6-oxoheptyl)guanidine.
What is the SMILES notation for 2-(5-amino-6-oxoheptyl)guanidine?
The canonical SMILES for 2-(5-amino-6-oxoheptyl)guanidine is CC(=O)C(N)CCCCN=C(N)N.
What is the InChIKey of 2-(5-amino-6-oxoheptyl)guanidine?
The InChIKey is DYUWIIWCSZFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(13)7(9)4-2-3-5-12-8(10)11/h7H,2-5,9H2,1H3,(H4,10,11,12).
What are the key properties of 2-(5-amino-6-oxoheptyl)guanidine?
2-(5-amino-6-oxoheptyl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxoheptyl)guanidine is sourced from PubChem (CID 59582145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).