5,6-ditert-butyl-1-propylazepan-2-one

C17H33NO — CID 59996889

IUPAC5,6-ditert-butyl-1-propylazepan-2-one
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)CCC1=O
InChIInChI=1S/C17H33NO/c1-8-11-18-12-14(17(5,6)7)13(16(2,3)4)9-10-15(18)19/h13-14H,8-12H2,1-7H3
InChIKeyDLPKRGRCHPKLAF-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.34
Rot. Bonds2

About 5,6-ditert-butyl-1-propylazepan-2-one

5,6-ditert-butyl-1-propylazepan-2-one (PubChem CID 59996889) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-propylazepan-2-one.

Molecular Properties

Compound Name5,6-ditert-butyl-1-propylazepan-2-one
PubChem CID59996889
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name5,6-ditert-butyl-1-propylazepan-2-one
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)CCC1=O
InChIInChI=1S/C17H33NO/c1-8-11-18-12-14(17(5,6)7)13(16(2,3)4)9-10-15(18)19/h13-14H,8-12H2,1-7H3
InChIKeyDLPKRGRCHPKLAF-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
4,5-ditert-butyl-1-propylpiperazin-2-one
CID 166970143
7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
5-amino-1-butylpiperidin-2-one
CID 64978058
1,5-dibutylpiperidin-2-one
CID 139951277
5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
CID 64977979
5-amino-1-pentylpiperidin-2-one
CID 64977965
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
5-amino-1-dodecylpiperidin-2-one
CID 64977984
4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one
CID 123589001
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-butyl-5-tert-butylpyrrolidin-2-one
CID 139951377

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1-propylazepan-2-one?
The IUPAC name of 5,6-ditert-butyl-1-propylazepan-2-one (CID 59996889) is 5,6-ditert-butyl-1-propylazepan-2-one.
What is the SMILES notation for 5,6-ditert-butyl-1-propylazepan-2-one?
The canonical SMILES for 5,6-ditert-butyl-1-propylazepan-2-one is CCCN1CC(C(C)(C)C)C(C(C)(C)C)CCC1=O.
What is the InChIKey of 5,6-ditert-butyl-1-propylazepan-2-one?
The InChIKey is DLPKRGRCHPKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-8-11-18-12-14(17(5,6)7)13(16(2,3)4)9-10-15(18)19/h13-14H,8-12H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-1-propylazepan-2-one?
5,6-ditert-butyl-1-propylazepan-2-one has a molecular weight of 267.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1-propylazepan-2-one is sourced from PubChem (CID 59996889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).