5-amino-7-methyl-6-oxooctanimidamide

C9H19N3O — CID 159228449

IUPAC5-amino-7-methyl-6-oxooctanimidamide
SMILES[H]/N=C(\N)CCCC(N)C(=O)C(C)C
InChIInChI=1S/C9H19N3O/c1-6(2)9(13)7(10)4-3-5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H3,11,12)
InChIKeyFWOBVPYRCFTHHQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds6

About 5-amino-7-methyl-6-oxooctanimidamide

5-amino-7-methyl-6-oxooctanimidamide (PubChem CID 159228449) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-amino-7-methyl-6-oxooctanimidamide.

Molecular Properties

Compound Name5-amino-7-methyl-6-oxooctanimidamide
PubChem CID159228449
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-amino-7-methyl-6-oxooctanimidamide
SMILES[H]/N=C(\N)CCCC(N)C(=O)C(C)C
InChIInChI=1S/C9H19N3O/c1-6(2)9(13)7(10)4-3-5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H3,11,12)
InChIKeyFWOBVPYRCFTHHQ-UHFFFAOYSA-N
XLogP0.65
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-oxoheptanimidamide
CID 58534097
methyl 2,7-diamino-7-iminoheptanoate
CID 58214559
N-(4-amino-4-iminobutyl)-2-methylpropanamide
CID 159846506
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(4S)-4-amino-2-methylnonan-3-one
CID 89254495
5-methyloctanimidamide
CID 54213893
5,5-dihydroxypentanimidamide
CID 87612742
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
5-(hydroxymethyl)-6-methylheptanimidamide
CID 54357871
methyl 7-amino-7-imino-2-methylheptanoate
CID 58186401
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
4-amino-2,8-dimethylnonane-3,7-dione
CID 90394699

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-methyl-6-oxooctanimidamide?
The IUPAC name of 5-amino-7-methyl-6-oxooctanimidamide (CID 159228449) is 5-amino-7-methyl-6-oxooctanimidamide.
What is the SMILES notation for 5-amino-7-methyl-6-oxooctanimidamide?
The canonical SMILES for 5-amino-7-methyl-6-oxooctanimidamide is [H]/N=C(\N)CCCC(N)C(=O)C(C)C.
What is the InChIKey of 5-amino-7-methyl-6-oxooctanimidamide?
The InChIKey is FWOBVPYRCFTHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)9(13)7(10)4-3-5-8(11)12/h6-7H,3-5,10H2,1-2H3,(H3,11,12).
What are the key properties of 5-amino-7-methyl-6-oxooctanimidamide?
5-amino-7-methyl-6-oxooctanimidamide has a molecular weight of 185.27 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 5-amino-7-methyl-6-oxooctanimidamide is sourced from PubChem (CID 159228449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).