4-hydroxy-3-methylheptanimidamide

C8H18N2O — CID 158806369

IUPAC4-hydroxy-3-methylheptanimidamide
SMILES[H]/N=C(\N)CC(C)C(O)CCC
InChIInChI=1S/C8H18N2O/c1-3-4-7(11)6(2)5-8(9)10/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyFCBFDLBSNVBQMZ-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.11
Rot. Bonds5

About 4-hydroxy-3-methylheptanimidamide

4-hydroxy-3-methylheptanimidamide (PubChem CID 158806369) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-hydroxy-3-methylheptanimidamide.

Molecular Properties

Compound Name4-hydroxy-3-methylheptanimidamide
PubChem CID158806369
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-hydroxy-3-methylheptanimidamide
SMILES[H]/N=C(\N)CC(C)C(O)CCC
InChIInChI=1S/C8H18N2O/c1-3-4-7(11)6(2)5-8(9)10/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyFCBFDLBSNVBQMZ-UHFFFAOYSA-N
XLogP1.11
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.11
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 4-hydroxy-3-methylheptanimidamide?
The IUPAC name of 4-hydroxy-3-methylheptanimidamide (CID 158806369) is 4-hydroxy-3-methylheptanimidamide.
What is the SMILES notation for 4-hydroxy-3-methylheptanimidamide?
The canonical SMILES for 4-hydroxy-3-methylheptanimidamide is [H]/N=C(\N)CC(C)C(O)CCC.
What is the InChIKey of 4-hydroxy-3-methylheptanimidamide?
The InChIKey is FCBFDLBSNVBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-7(11)6(2)5-8(9)10/h6-7,11H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 4-hydroxy-3-methylheptanimidamide?
4-hydroxy-3-methylheptanimidamide has a molecular weight of 158.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylheptanimidamide is sourced from PubChem (CID 158806369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).