N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide

C10H21N3O — CID 118636674

IUPACN'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
SMILESCC(=O)C(N)CCC/N=C(/N)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)10(12)13-6-4-5-9(11)8(3)14/h7,9H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyUYUSYFMMIFTVMR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.70
Rot. Bonds6

About N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide

N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide (PubChem CID 118636674) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
PubChem CID118636674
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
SMILESCC(=O)C(N)CCC/N=C(/N)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)10(12)13-6-4-5-9(11)8(3)14/h7,9H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyUYUSYFMMIFTVMR-UHFFFAOYSA-N
XLogP0.70
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide?
The IUPAC name of N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide (CID 118636674) is N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide is CC(=O)C(N)CCC/N=C(/N)C(C)C.
What is the InChIKey of N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide?
The InChIKey is UYUSYFMMIFTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)10(12)13-6-4-5-9(11)8(3)14/h7,9H,4-6,11H2,1-3H3,(H2,12,13).
What are the key properties of N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide?
N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide is sourced from PubChem (CID 118636674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).