2-methyl-7-oxononanimidamide

C10H20N2O — CID 123883607

IUPAC2-methyl-7-oxononanimidamide
SMILES[H]/N=C(\N)C(C)CCCCC(=O)CC
InChIInChI=1S/C10H20N2O/c1-3-9(13)7-5-4-6-8(2)10(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyDBEXKBVQTMUGEH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-7-oxononanimidamide

2-methyl-7-oxononanimidamide (PubChem CID 123883607) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-7-oxononanimidamide.

Molecular Properties

Compound Name2-methyl-7-oxononanimidamide
PubChem CID123883607
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-7-oxononanimidamide
SMILES[H]/N=C(\N)C(C)CCCCC(=O)CC
InChIInChI=1S/C10H20N2O/c1-3-9(13)7-5-4-6-8(2)10(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyDBEXKBVQTMUGEH-UHFFFAOYSA-N
XLogP2.10
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

methyl 7-amino-7-imino-2-methylheptanoate
CID 58186401
5-oxoheptanamide
CID 54102648
(3S)-3-aminoundecane-2,9-dione
CID 148839673
4-methylpentanoyl fluoride;6-oxooctanamide
CID 145408347
methane;undecane-3,9-dione
CID 158816586
ethane;7-methyloctan-3-one
CID 142816942
9-sulfanylundecan-3-one
CID 91415833
7-imino-2-methyloctanoic acid
CID 58165156
(7R,8S)-8-hydroxy-7-methylnonan-3-one
CID 122413902
methyl 2-amino-10-oxododecanoate
CID 170309196
10-methyl-9-methylidenedodecan-3-one
CID 123893300
2-methyl-7-oxodecanoic acid
CID 121216552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxononanimidamide?
The IUPAC name of 2-methyl-7-oxononanimidamide (CID 123883607) is 2-methyl-7-oxononanimidamide.
What is the SMILES notation for 2-methyl-7-oxononanimidamide?
The canonical SMILES for 2-methyl-7-oxononanimidamide is [H]/N=C(\N)C(C)CCCCC(=O)CC.
What is the InChIKey of 2-methyl-7-oxononanimidamide?
The InChIKey is DBEXKBVQTMUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-9(13)7-5-4-6-8(2)10(11)12/h8H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-methyl-7-oxononanimidamide?
2-methyl-7-oxononanimidamide has a molecular weight of 184.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxononanimidamide is sourced from PubChem (CID 123883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).