1,2-ditert-butyl-3-methylazepan-3-ol

C15H31NO — CID 171756062

IUPAC1,2-ditert-butyl-3-methylazepan-3-ol
SMILESCC(C)(C)C1N(C(C)(C)C)CCCCC1(C)O
InChIInChI=1S/C15H31NO/c1-13(2,3)12-15(7,17)10-8-9-11-16(12)14(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeyTZKPVMVGDOOWKT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds

About 1,2-ditert-butyl-3-methylazepan-3-ol

1,2-ditert-butyl-3-methylazepan-3-ol (PubChem CID 171756062) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1,2-ditert-butyl-3-methylazepan-3-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-3-methylazepan-3-ol
PubChem CID171756062
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1,2-ditert-butyl-3-methylazepan-3-ol
SMILESCC(C)(C)C1N(C(C)(C)C)CCCCC1(C)O
InChIInChI=1S/C15H31NO/c1-13(2,3)12-15(7,17)10-8-9-11-16(12)14(4,5)6/h12,17H,8-11H2,1-7H3
InChIKeyTZKPVMVGDOOWKT-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3-methylazepan-3-ol?
The IUPAC name of 1,2-ditert-butyl-3-methylazepan-3-ol (CID 171756062) is 1,2-ditert-butyl-3-methylazepan-3-ol.
What is the SMILES notation for 1,2-ditert-butyl-3-methylazepan-3-ol?
The canonical SMILES for 1,2-ditert-butyl-3-methylazepan-3-ol is CC(C)(C)C1N(C(C)(C)C)CCCCC1(C)O.
What is the InChIKey of 1,2-ditert-butyl-3-methylazepan-3-ol?
The InChIKey is TZKPVMVGDOOWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2,3)12-15(7,17)10-8-9-11-16(12)14(4,5)6/h12,17H,8-11H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-3-methylazepan-3-ol?
1,2-ditert-butyl-3-methylazepan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3-methylazepan-3-ol is sourced from PubChem (CID 171756062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).