2-amino-2-methylhexane-1,6-diol

C7H17NO2 — CID 90896070

IUPAC2-amino-2-methylhexane-1,6-diol
SMILESCC(N)(CO)CCCCO
InChIInChI=1S/C7H17NO2/c1-7(8,6-10)4-2-3-5-9/h9-10H,2-6,8H2,1H3
InChIKeyUALIJBNACYOLDR-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds5

About 2-amino-2-methylhexane-1,6-diol

2-amino-2-methylhexane-1,6-diol (PubChem CID 90896070) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-amino-2-methylhexane-1,6-diol.

Molecular Properties

Compound Name2-amino-2-methylhexane-1,6-diol
PubChem CID90896070
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-amino-2-methylhexane-1,6-diol
SMILESCC(N)(CO)CCCCO
InChIInChI=1S/C7H17NO2/c1-7(8,6-10)4-2-3-5-9/h9-10H,2-6,8H2,1H3
InChIKeyUALIJBNACYOLDR-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-2-methylhexane-1,6-diol?
The IUPAC name of 2-amino-2-methylhexane-1,6-diol (CID 90896070) is 2-amino-2-methylhexane-1,6-diol.
What is the SMILES notation for 2-amino-2-methylhexane-1,6-diol?
The canonical SMILES for 2-amino-2-methylhexane-1,6-diol is CC(N)(CO)CCCCO.
What is the InChIKey of 2-amino-2-methylhexane-1,6-diol?
The InChIKey is UALIJBNACYOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(8,6-10)4-2-3-5-9/h9-10H,2-6,8H2,1H3.
What are the key properties of 2-amino-2-methylhexane-1,6-diol?
2-amino-2-methylhexane-1,6-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhexane-1,6-diol is sourced from PubChem (CID 90896070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).