1-tert-butylazepan-3-ol

C10H21NO — CID 58877724

IUPAC1-tert-butylazepan-3-ol
SMILESCC(C)(C)N1CCCCC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)11-7-5-4-6-9(12)8-11/h9,12H,4-8H2,1-3H3
InChIKeyAPJNCTMLKYYURK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds

About 1-tert-butylazepan-3-ol

1-tert-butylazepan-3-ol (PubChem CID 58877724) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-tert-butylazepan-3-ol.

Molecular Properties

Compound Name1-tert-butylazepan-3-ol
PubChem CID58877724
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-tert-butylazepan-3-ol
SMILESCC(C)(C)N1CCCCC(O)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)11-7-5-4-6-9(12)8-11/h9,12H,4-8H2,1-3H3
InChIKeyAPJNCTMLKYYURK-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazepan-3-ol?
The IUPAC name of 1-tert-butylazepan-3-ol (CID 58877724) is 1-tert-butylazepan-3-ol.
What is the SMILES notation for 1-tert-butylazepan-3-ol?
The canonical SMILES for 1-tert-butylazepan-3-ol is CC(C)(C)N1CCCCC(O)C1.
What is the InChIKey of 1-tert-butylazepan-3-ol?
The InChIKey is APJNCTMLKYYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)11-7-5-4-6-9(12)8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-tert-butylazepan-3-ol?
1-tert-butylazepan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazepan-3-ol is sourced from PubChem (CID 58877724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).