4-tert-butylazepan-4-ol

C10H21NO — CID 55296564

IUPAC4-tert-butylazepan-4-ol
SMILESCC(C)(C)C1(O)CCCNCC1
InChIInChI=1S/C10H21NO/c1-9(2,3)10(12)5-4-7-11-8-6-10/h11-12H,4-8H2,1-3H3
InChIKeyZLFSUIUHBICONW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds

About 4-tert-butylazepan-4-ol

4-tert-butylazepan-4-ol (PubChem CID 55296564) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-tert-butylazepan-4-ol.

Molecular Properties

Compound Name4-tert-butylazepan-4-ol
PubChem CID55296564
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-tert-butylazepan-4-ol
SMILESCC(C)(C)C1(O)CCCNCC1
InChIInChI=1S/C10H21NO/c1-9(2,3)10(12)5-4-7-11-8-6-10/h11-12H,4-8H2,1-3H3
InChIKeyZLFSUIUHBICONW-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylazepan-4-ol?
The IUPAC name of 4-tert-butylazepan-4-ol (CID 55296564) is 4-tert-butylazepan-4-ol.
What is the SMILES notation for 4-tert-butylazepan-4-ol?
The canonical SMILES for 4-tert-butylazepan-4-ol is CC(C)(C)C1(O)CCCNCC1.
What is the InChIKey of 4-tert-butylazepan-4-ol?
The InChIKey is ZLFSUIUHBICONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)10(12)5-4-7-11-8-6-10/h11-12H,4-8H2,1-3H3.
What are the key properties of 4-tert-butylazepan-4-ol?
4-tert-butylazepan-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylazepan-4-ol is sourced from PubChem (CID 55296564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).