2-(4-amino-6-methyl-5-oxoheptyl)guanidine

C9H20N4O — CID 58593150

IUPAC2-(4-amino-6-methyl-5-oxoheptyl)guanidine
SMILESCC(C)C(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-6(2)8(14)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H4,11,12,13)
InChIKeyOIRWWHMHVIJKAB-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.41
Rot. Bonds6

About 2-(4-amino-6-methyl-5-oxoheptyl)guanidine

2-(4-amino-6-methyl-5-oxoheptyl)guanidine (PubChem CID 58593150) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(4-amino-6-methyl-5-oxoheptyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-6-methyl-5-oxoheptyl)guanidine
PubChem CID58593150
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-(4-amino-6-methyl-5-oxoheptyl)guanidine
SMILESCC(C)C(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-6(2)8(14)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H4,11,12,13)
InChIKeyOIRWWHMHVIJKAB-UHFFFAOYSA-N
XLogP-0.41
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.41
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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Related Compounds

Deoxy-methyl-arginine
CID 5287607
1,1'-(5-Oxoheptane-1,4-diyl)diguanidine
CID 87221784
[(4S)-4-azaniumyl-5-oxoheptyl]-(diaminomethylidene)azanium
CID 146162321
2-(4-Amino-5-oxohexyl)guanidine
CID 4473079
2-[(4S,7S,8S)-4,7-diamino-8-methyl-5,6-dioxodecyl]guanidine
CID 54252236
2-[(4S,7S)-4,7-diamino-9-methyl-5,6-dioxodecyl]guanidine
CID 57036526
2-[(4S)-4-amino-5,6-dioxoheptyl]guanidine
CID 57131236
2-[(4S)-4-amino-5-oxoheptyl]guanidine
CID 57177633
2-[(6S)-1,6-diamino-8-methyl-5-oxononyl]guanidine
CID 57184499
2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine
CID 57212739
2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine
CID 57720986
2-[(4S)-4-amino-5-oxooctyl]guanidine
CID 57908857

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methyl-5-oxoheptyl)guanidine?
The IUPAC name of 2-(4-amino-6-methyl-5-oxoheptyl)guanidine (CID 58593150) is 2-(4-amino-6-methyl-5-oxoheptyl)guanidine.
What is the SMILES notation for 2-(4-amino-6-methyl-5-oxoheptyl)guanidine?
The canonical SMILES for 2-(4-amino-6-methyl-5-oxoheptyl)guanidine is CC(C)C(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-(4-amino-6-methyl-5-oxoheptyl)guanidine?
The InChIKey is OIRWWHMHVIJKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-6(2)8(14)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-(4-amino-6-methyl-5-oxoheptyl)guanidine?
2-(4-amino-6-methyl-5-oxoheptyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methyl-5-oxoheptyl)guanidine is sourced from PubChem (CID 58593150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).