1-tert-butyl-3-methylazepan-3-ol

C11H23NO — CID 176847719

IUPAC1-tert-butyl-3-methylazepan-3-ol
SMILESCC1(O)CCCCN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3
InChIKeyBDOHMXJVVFINHU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds

About 1-tert-butyl-3-methylazepan-3-ol

1-tert-butyl-3-methylazepan-3-ol (PubChem CID 176847719) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butyl-3-methylazepan-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3-methylazepan-3-ol
PubChem CID176847719
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-tert-butyl-3-methylazepan-3-ol
SMILESCC1(O)CCCCN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3
InChIKeyBDOHMXJVVFINHU-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylazepan-3-ol?
The IUPAC name of 1-tert-butyl-3-methylazepan-3-ol (CID 176847719) is 1-tert-butyl-3-methylazepan-3-ol.
What is the SMILES notation for 1-tert-butyl-3-methylazepan-3-ol?
The canonical SMILES for 1-tert-butyl-3-methylazepan-3-ol is CC1(O)CCCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylazepan-3-ol?
The InChIKey is BDOHMXJVVFINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylazepan-3-ol?
1-tert-butyl-3-methylazepan-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylazepan-3-ol is sourced from PubChem (CID 176847719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).