3-amino-5,6-dimethyloctan-4-ol

C10H23NO — CID 20658862

IUPAC3-amino-5,6-dimethyloctan-4-ol
SMILESCCC(C)C(C)C(O)C(N)CC
InChIInChI=1S/C10H23NO/c1-5-7(3)8(4)10(12)9(11)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyURPTZWWOHAVAER-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-5,6-dimethyloctan-4-ol

3-amino-5,6-dimethyloctan-4-ol (PubChem CID 20658862) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-amino-5,6-dimethyloctan-4-ol.

Molecular Properties

Compound Name3-amino-5,6-dimethyloctan-4-ol
PubChem CID20658862
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-amino-5,6-dimethyloctan-4-ol
SMILESCCC(C)C(C)C(O)C(N)CC
InChIInChI=1S/C10H23NO/c1-5-7(3)8(4)10(12)9(11)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyURPTZWWOHAVAER-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dimethyloctan-4-ol?
The IUPAC name of 3-amino-5,6-dimethyloctan-4-ol (CID 20658862) is 3-amino-5,6-dimethyloctan-4-ol.
What is the SMILES notation for 3-amino-5,6-dimethyloctan-4-ol?
The canonical SMILES for 3-amino-5,6-dimethyloctan-4-ol is CCC(C)C(C)C(O)C(N)CC.
What is the InChIKey of 3-amino-5,6-dimethyloctan-4-ol?
The InChIKey is URPTZWWOHAVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7(3)8(4)10(12)9(11)6-2/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 3-amino-5,6-dimethyloctan-4-ol?
3-amino-5,6-dimethyloctan-4-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dimethyloctan-4-ol is sourced from PubChem (CID 20658862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).