5-amino-5-methylhexan-1-ol

C7H17NO — CID 82229614

IUPAC5-amino-5-methylhexan-1-ol
SMILESCC(C)(N)CCCCO
InChIInChI=1S/C7H17NO/c1-7(2,8)5-3-4-6-9/h9H,3-6,8H2,1-2H3
InChIKeyZBWCZMLJDIEZLG-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.89
Rot. Bonds4

About 5-amino-5-methylhexan-1-ol

5-amino-5-methylhexan-1-ol (PubChem CID 82229614) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 5-amino-5-methylhexan-1-ol.

Molecular Properties

Compound Name5-amino-5-methylhexan-1-ol
PubChem CID82229614
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name5-amino-5-methylhexan-1-ol
SMILESCC(C)(N)CCCCO
InChIInChI=1S/C7H17NO/c1-7(2,8)5-3-4-6-9/h9H,3-6,8H2,1-2H3
InChIKeyZBWCZMLJDIEZLG-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methylhexan-1-ol?
The IUPAC name of 5-amino-5-methylhexan-1-ol (CID 82229614) is 5-amino-5-methylhexan-1-ol.
What is the SMILES notation for 5-amino-5-methylhexan-1-ol?
The canonical SMILES for 5-amino-5-methylhexan-1-ol is CC(C)(N)CCCCO.
What is the InChIKey of 5-amino-5-methylhexan-1-ol?
The InChIKey is ZBWCZMLJDIEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,8)5-3-4-6-9/h9H,3-6,8H2,1-2H3.
What are the key properties of 5-amino-5-methylhexan-1-ol?
5-amino-5-methylhexan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methylhexan-1-ol is sourced from PubChem (CID 82229614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).