1,2,2,7,7-pentamethylazepane

C11H23N — CID 22946774

IUPAC1,2,2,7,7-pentamethylazepane
SMILESCN1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-7-9-11(3,4)12(10)5/h6-9H2,1-5H3
InChIKeyFGBKARYKYVISTM-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds

About 1,2,2,7,7-pentamethylazepane

1,2,2,7,7-pentamethylazepane (PubChem CID 22946774) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,2,2,7,7-pentamethylazepane.

Molecular Properties

Compound Name1,2,2,7,7-pentamethylazepane
PubChem CID22946774
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,2,2,7,7-pentamethylazepane
SMILESCN1C(C)(C)CCCCC1(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-7-9-11(3,4)12(10)5/h6-9H2,1-5H3
InChIKeyFGBKARYKYVISTM-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2,6,6-pentamethylpiperidine
CID 6603
1,2,2,6,6-pentamethylpiperidine iodide
CID 5315073
1,2,2,6,6-pentamethylpiperidine;1,1,3,3-tetramethylcyclohexane
CID 165011637
1,2,2-trimethyl-1-azaspiro[4.5]decane
CID 59773900
1,2,2,6-tetramethyl-6-methylpiperidine
CID 59068978
2,2,7,7-tetramethyl-1-propan-2-ylazepane
CID 164739441
(7Z)-1,2,2-trimethyl-3,4,5,6-tetrahydroazocine
CID 138527540
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 159951364
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
Tempo
CID 2724126
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499

Frequently Asked Questions

What is the IUPAC name of 1,2,2,7,7-pentamethylazepane?
The IUPAC name of 1,2,2,7,7-pentamethylazepane (CID 22946774) is 1,2,2,7,7-pentamethylazepane.
What is the SMILES notation for 1,2,2,7,7-pentamethylazepane?
The canonical SMILES for 1,2,2,7,7-pentamethylazepane is CN1C(C)(C)CCCCC1(C)C.
What is the InChIKey of 1,2,2,7,7-pentamethylazepane?
The InChIKey is FGBKARYKYVISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)8-6-7-9-11(3,4)12(10)5/h6-9H2,1-5H3.
What are the key properties of 1,2,2,7,7-pentamethylazepane?
1,2,2,7,7-pentamethylazepane has a molecular weight of 169.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,7,7-pentamethylazepane is sourced from PubChem (CID 22946774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).