N'-(4-amino-5-oxoheptyl)propanimidamide

C10H21N3O — CID 90788141

IUPACN'-(4-amino-5-oxoheptyl)propanimidamide
SMILESCCC(=O)C(N)CCC/N=C(/N)CC
InChIInChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13)
InChIKeyVYGPWFGUAAVUSX-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.84
Rot. Bonds7

About N'-(4-amino-5-oxoheptyl)propanimidamide

N'-(4-amino-5-oxoheptyl)propanimidamide (PubChem CID 90788141) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-(4-amino-5-oxoheptyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-amino-5-oxoheptyl)propanimidamide
PubChem CID90788141
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-(4-amino-5-oxoheptyl)propanimidamide
SMILESCCC(=O)C(N)CCC/N=C(/N)CC
InChIInChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13)
InChIKeyVYGPWFGUAAVUSX-UHFFFAOYSA-N
XLogP0.84
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
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
N-(5-Amino-6-oxo-heptyl)-acetamidine
CID 44393463
[(4S)-4-azaniumyl-5-oxoheptyl]-(diaminomethylidene)azanium
CID 146162321
N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
CID 158121163
2-(4-Amino-5-oxohexyl)guanidine
CID 4473079
4-Amino-5-oxohexanimidamide
CID 20765356
N'-[4-(methylamino)-5-oxohexyl]ethanimidamide
CID 21338647
N'-[(5S)-5-amino-6-oxoheptyl]ethanimidamide
CID 53636888
N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide
CID 54238237
2-[(4S)-4-amino-5,6-dioxoheptyl]guanidine
CID 57131236
2-[(4S)-4-amino-5-oxoheptyl]guanidine
CID 57177633

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-5-oxoheptyl)propanimidamide?
The IUPAC name of N'-(4-amino-5-oxoheptyl)propanimidamide (CID 90788141) is N'-(4-amino-5-oxoheptyl)propanimidamide.
What is the SMILES notation for N'-(4-amino-5-oxoheptyl)propanimidamide?
The canonical SMILES for N'-(4-amino-5-oxoheptyl)propanimidamide is CCC(=O)C(N)CCC/N=C(/N)CC.
What is the InChIKey of N'-(4-amino-5-oxoheptyl)propanimidamide?
The InChIKey is VYGPWFGUAAVUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13).
What are the key properties of N'-(4-amino-5-oxoheptyl)propanimidamide?
N'-(4-amino-5-oxoheptyl)propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-5-oxoheptyl)propanimidamide is sourced from PubChem (CID 90788141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).