7-amino-2,3,6-trimethylheptan-2-ol

C10H23NO — CID 134214019

IUPAC7-amino-2,3,6-trimethylheptan-2-ol
SMILESCC(CN)CCC(C)C(C)(C)O
InChIInChI=1S/C10H23NO/c1-8(7-11)5-6-9(2)10(3,4)12/h8-9,12H,5-7,11H2,1-4H3
InChIKeyIZHFJUWOFQGAOC-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 7-amino-2,3,6-trimethylheptan-2-ol

7-amino-2,3,6-trimethylheptan-2-ol (PubChem CID 134214019) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 7-amino-2,3,6-trimethylheptan-2-ol.

Molecular Properties

Compound Name7-amino-2,3,6-trimethylheptan-2-ol
PubChem CID134214019
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name7-amino-2,3,6-trimethylheptan-2-ol
SMILESCC(CN)CCC(C)C(C)(C)O
InChIInChI=1S/C10H23NO/c1-8(7-11)5-6-9(2)10(3,4)12/h8-9,12H,5-7,11H2,1-4H3
InChIKeyIZHFJUWOFQGAOC-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 7-amino-2,3,6-trimethylheptan-2-ol?
The IUPAC name of 7-amino-2,3,6-trimethylheptan-2-ol (CID 134214019) is 7-amino-2,3,6-trimethylheptan-2-ol.
What is the SMILES notation for 7-amino-2,3,6-trimethylheptan-2-ol?
The canonical SMILES for 7-amino-2,3,6-trimethylheptan-2-ol is CC(CN)CCC(C)C(C)(C)O.
What is the InChIKey of 7-amino-2,3,6-trimethylheptan-2-ol?
The InChIKey is IZHFJUWOFQGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(7-11)5-6-9(2)10(3,4)12/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 7-amino-2,3,6-trimethylheptan-2-ol?
7-amino-2,3,6-trimethylheptan-2-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 7-amino-2,3,6-trimethylheptan-2-ol is sourced from PubChem (CID 134214019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).