5-(hydroxymethyl)-6-methylheptanimidamide

C9H20N2O — CID 54357871

IUPAC5-(hydroxymethyl)-6-methylheptanimidamide
SMILES[H]/N=C(\N)CCCC(CO)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(6-12)4-3-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyIXZRQZIZGGTEAD-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.36
Rot. Bonds6

About 5-(hydroxymethyl)-6-methylheptanimidamide

5-(hydroxymethyl)-6-methylheptanimidamide (PubChem CID 54357871) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-methylheptanimidamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-methylheptanimidamide
PubChem CID54357871
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name5-(hydroxymethyl)-6-methylheptanimidamide
SMILES[H]/N=C(\N)CCCC(CO)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(6-12)4-3-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyIXZRQZIZGGTEAD-UHFFFAOYSA-N
XLogP1.36
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 5-(hydroxymethyl)-6-methylheptanimidamide?
The IUPAC name of 5-(hydroxymethyl)-6-methylheptanimidamide (CID 54357871) is 5-(hydroxymethyl)-6-methylheptanimidamide.
What is the SMILES notation for 5-(hydroxymethyl)-6-methylheptanimidamide?
The canonical SMILES for 5-(hydroxymethyl)-6-methylheptanimidamide is [H]/N=C(\N)CCCC(CO)C(C)C.
What is the InChIKey of 5-(hydroxymethyl)-6-methylheptanimidamide?
The InChIKey is IXZRQZIZGGTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)8(6-12)4-3-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 5-(hydroxymethyl)-6-methylheptanimidamide?
5-(hydroxymethyl)-6-methylheptanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-methylheptanimidamide is sourced from PubChem (CID 54357871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).