2-amino-2,4,4-trimethylhexane-1,6-diol

C9H21NO2 — CID 146601739

IUPAC2-amino-2,4,4-trimethylhexane-1,6-diol
SMILESCC(C)(CCO)CC(C)(N)CO
InChIInChI=1S/C9H21NO2/c1-8(2,4-5-11)6-9(3,10)7-12/h11-12H,4-7,10H2,1-3H3
InChIKeySUTTZHOEJOMXBX-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-2,4,4-trimethylhexane-1,6-diol

2-amino-2,4,4-trimethylhexane-1,6-diol (PubChem CID 146601739) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-amino-2,4,4-trimethylhexane-1,6-diol.

Molecular Properties

Compound Name2-amino-2,4,4-trimethylhexane-1,6-diol
PubChem CID146601739
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-amino-2,4,4-trimethylhexane-1,6-diol
SMILESCC(C)(CCO)CC(C)(N)CO
InChIInChI=1S/C9H21NO2/c1-8(2,4-5-11)6-9(3,10)7-12/h11-12H,4-7,10H2,1-3H3
InChIKeySUTTZHOEJOMXBX-UHFFFAOYSA-N
XLogP0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4,4-trimethylhexane-1,6-diol?
The IUPAC name of 2-amino-2,4,4-trimethylhexane-1,6-diol (CID 146601739) is 2-amino-2,4,4-trimethylhexane-1,6-diol.
What is the SMILES notation for 2-amino-2,4,4-trimethylhexane-1,6-diol?
The canonical SMILES for 2-amino-2,4,4-trimethylhexane-1,6-diol is CC(C)(CCO)CC(C)(N)CO.
What is the InChIKey of 2-amino-2,4,4-trimethylhexane-1,6-diol?
The InChIKey is SUTTZHOEJOMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2,4-5-11)6-9(3,10)7-12/h11-12H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-2,4,4-trimethylhexane-1,6-diol?
2-amino-2,4,4-trimethylhexane-1,6-diol has a molecular weight of 175.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4,4-trimethylhexane-1,6-diol is sourced from PubChem (CID 146601739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).