5-methyloctanimidamide

C9H20N2 — CID 54213893

IUPAC5-methyloctanimidamide
SMILES[H]/N=C(\N)CCCC(C)CCC
InChIInChI=1S/C9H20N2/c1-3-5-8(2)6-4-7-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11)
InChIKeyQFMDATWPWSTNPW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.53
Rot. Bonds6

About 5-methyloctanimidamide

5-methyloctanimidamide (PubChem CID 54213893) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-methyloctanimidamide.

Molecular Properties

Compound Name5-methyloctanimidamide
PubChem CID54213893
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name5-methyloctanimidamide
SMILES[H]/N=C(\N)CCCC(C)CCC
InChIInChI=1S/C9H20N2/c1-3-5-8(2)6-4-7-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11)
InChIKeyQFMDATWPWSTNPW-UHFFFAOYSA-N
XLogP2.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

5,5-dihydroxypentanimidamide
CID 87612742
5-(hydroxymethyl)-6-methylheptanimidamide
CID 54357871
5,5-dibromopentanimidamide
CID 57012710
5-hydroxy-4-methylpentanimidamide
CID 91614670
5-amino-7-methyl-6-oxooctanimidamide
CID 159228449
2,6-dimethylnonan-3-imine
CID 146181294
5-amino-6-oxoheptanimidamide
CID 58534097
4-(3-methylbutoxy)butanimidamide
CID 24706267
4-propoxypentanimidamide
CID 158121909
4-butan-2-ylsulfanylbutanimidamide
CID 43188607
octadecanediimidamide;dihydrochloride
CID 24741615
4-methyl-8-methylidenedodecane
CID 123605795

Frequently Asked Questions

What is the IUPAC name of 5-methyloctanimidamide?
The IUPAC name of 5-methyloctanimidamide (CID 54213893) is 5-methyloctanimidamide.
What is the SMILES notation for 5-methyloctanimidamide?
The canonical SMILES for 5-methyloctanimidamide is [H]/N=C(\N)CCCC(C)CCC.
What is the InChIKey of 5-methyloctanimidamide?
The InChIKey is QFMDATWPWSTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-5-8(2)6-4-7-9(10)11/h8H,3-7H2,1-2H3,(H3,10,11).
What are the key properties of 5-methyloctanimidamide?
5-methyloctanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloctanimidamide is sourced from PubChem (CID 54213893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).