6-imino-2,2-dimethylhexan-1-ol

C8H17NO — CID 143543962

IUPAC6-imino-2,2-dimethylhexan-1-ol
SMILES[H]/N=C/CCCC(C)(C)CO
InChIInChI=1S/C8H17NO/c1-8(2,7-10)5-3-4-6-9/h6,9-10H,3-5,7H2,1-2H3/b9-6+
InChIKeyXCJBEBBHWQPILW-RMKNXTFCSA-N
MW143.23 g/mol
LogP1.82
Rot. Bonds5

About 6-imino-2,2-dimethylhexan-1-ol

6-imino-2,2-dimethylhexan-1-ol (PubChem CID 143543962) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-imino-2,2-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-imino-2,2-dimethylhexan-1-ol
PubChem CID143543962
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-imino-2,2-dimethylhexan-1-ol
SMILES[H]/N=C/CCCC(C)(C)CO
InChIInChI=1S/C8H17NO/c1-8(2,7-10)5-3-4-6-9/h6,9-10H,3-5,7H2,1-2H3/b9-6+
InChIKeyXCJBEBBHWQPILW-RMKNXTFCSA-N
XLogP1.82
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-2,2-dimethylhexan-1-ol?
The IUPAC name of 6-imino-2,2-dimethylhexan-1-ol (CID 143543962) is 6-imino-2,2-dimethylhexan-1-ol.
What is the SMILES notation for 6-imino-2,2-dimethylhexan-1-ol?
The canonical SMILES for 6-imino-2,2-dimethylhexan-1-ol is [H]/N=C/CCCC(C)(C)CO.
What is the InChIKey of 6-imino-2,2-dimethylhexan-1-ol?
The InChIKey is XCJBEBBHWQPILW-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,7-10)5-3-4-6-9/h6,9-10H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of 6-imino-2,2-dimethylhexan-1-ol?
6-imino-2,2-dimethylhexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,2-dimethylhexan-1-ol is sourced from PubChem (CID 143543962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).