2-(4-amino-5-oxohexyl)guanidine;ethane

C9H22N4O — CID 143945078

IUPAC2-(4-amino-5-oxohexyl)guanidine;ethane
SMILESCC.CC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C7H16N4O.C2H6/c1-5(12)6(8)3-2-4-11-7(9)10;1-2/h6H,2-4,8H2,1H3,(H4,9,10,11);1-2H3
InChIKeyVZTRYAOLFOLUHE-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.02
Rot. Bonds5

About 2-(4-amino-5-oxohexyl)guanidine;ethane

2-(4-amino-5-oxohexyl)guanidine;ethane (PubChem CID 143945078) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(4-amino-5-oxohexyl)guanidine;ethane.

Molecular Properties

Compound Name2-(4-amino-5-oxohexyl)guanidine;ethane
PubChem CID143945078
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name2-(4-amino-5-oxohexyl)guanidine;ethane
SMILESCC.CC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C7H16N4O.C2H6/c1-5(12)6(8)3-2-4-11-7(9)10;1-2/h6H,2-4,8H2,1H3,(H4,9,10,11);1-2H3
InChIKeyVZTRYAOLFOLUHE-UHFFFAOYSA-N
XLogP-0.02
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.02
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

Muscarinic receptor antagonist 1
CID 44575653
Arginylfluoromethane
CID 53644704
Deoxy-methyl-arginine
CID 5287607
2-[(4S)-4-(methylamino)-5-oxohexyl]guanidine
CID 58651720
1,1'-(5-Oxoheptane-1,4-diyl)diguanidine
CID 87221784
2-(4-Amino-6-fluoro-5-oxohexyl)guanidine
CID 76058401
2-(4-Amino-5-oxohexyl)-1-fluoro-1-methylguanidine
CID 134250477
2-[(4S)-4-[fluoro(methyl)amino]-5-oxohexyl]guanidine
CID 175991669
N-(5-Amino-6-oxo-heptyl)-acetamidine
CID 44393463
[(4S)-4-azaniumyl-5-oxoheptyl]-(diaminomethylidene)azanium
CID 146162321
[(4S)-4-azaniumyl-5-oxohexyl]-(diaminomethylidene)azanium
CID 146162325
N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
CID 158121163

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-oxohexyl)guanidine;ethane?
The IUPAC name of 2-(4-amino-5-oxohexyl)guanidine;ethane (CID 143945078) is 2-(4-amino-5-oxohexyl)guanidine;ethane.
What is the SMILES notation for 2-(4-amino-5-oxohexyl)guanidine;ethane?
The canonical SMILES for 2-(4-amino-5-oxohexyl)guanidine;ethane is CC.CC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-(4-amino-5-oxohexyl)guanidine;ethane?
The InChIKey is VZTRYAOLFOLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O.C2H6/c1-5(12)6(8)3-2-4-11-7(9)10;1-2/h6H,2-4,8H2,1H3,(H4,9,10,11);1-2H3.
What are the key properties of 2-(4-amino-5-oxohexyl)guanidine;ethane?
2-(4-amino-5-oxohexyl)guanidine;ethane has a molecular weight of 202.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-oxohexyl)guanidine;ethane is sourced from PubChem (CID 143945078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).