2-amino-3,5,5-trimethylheptan-3-ol

C10H23NO — CID 90712351

IUPAC2-amino-3,5,5-trimethylheptan-3-ol
SMILESCCC(C)(C)CC(C)(O)C(C)N
InChIInChI=1S/C10H23NO/c1-6-9(3,4)7-10(5,12)8(2)11/h8,12H,6-7,11H2,1-5H3
InChIKeyQEXIXLNCKVEJMU-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-3,5,5-trimethylheptan-3-ol

2-amino-3,5,5-trimethylheptan-3-ol (PubChem CID 90712351) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-amino-3,5,5-trimethylheptan-3-ol.

Molecular Properties

Compound Name2-amino-3,5,5-trimethylheptan-3-ol
PubChem CID90712351
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-amino-3,5,5-trimethylheptan-3-ol
SMILESCCC(C)(C)CC(C)(O)C(C)N
InChIInChI=1S/C10H23NO/c1-6-9(3,4)7-10(5,12)8(2)11/h8,12H,6-7,11H2,1-5H3
InChIKeyQEXIXLNCKVEJMU-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,5-trimethylheptan-3-ol?
The IUPAC name of 2-amino-3,5,5-trimethylheptan-3-ol (CID 90712351) is 2-amino-3,5,5-trimethylheptan-3-ol.
What is the SMILES notation for 2-amino-3,5,5-trimethylheptan-3-ol?
The canonical SMILES for 2-amino-3,5,5-trimethylheptan-3-ol is CCC(C)(C)CC(C)(O)C(C)N.
What is the InChIKey of 2-amino-3,5,5-trimethylheptan-3-ol?
The InChIKey is QEXIXLNCKVEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-9(3,4)7-10(5,12)8(2)11/h8,12H,6-7,11H2,1-5H3.
What are the key properties of 2-amino-3,5,5-trimethylheptan-3-ol?
2-amino-3,5,5-trimethylheptan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,5-trimethylheptan-3-ol is sourced from PubChem (CID 90712351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).