2,7-diethyl-1-methylazepane

C11H23N — CID 146499185

IUPAC2,7-diethyl-1-methylazepane
SMILESCCC1CCCCC(CC)N1C
InChIInChI=1S/C11H23N/c1-4-10-8-6-7-9-11(5-2)12(10)3/h10-11H,4-9H2,1-3H3
InChIKeyXIJHZMHDIFTPBM-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds2

About 2,7-diethyl-1-methylazepane

2,7-diethyl-1-methylazepane (PubChem CID 146499185) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,7-diethyl-1-methylazepane.

Molecular Properties

Compound Name2,7-diethyl-1-methylazepane
PubChem CID146499185
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,7-diethyl-1-methylazepane
SMILESCCC1CCCCC(CC)N1C
InChIInChI=1S/C11H23N/c1-4-10-8-6-7-9-11(5-2)12(10)3/h10-11H,4-9H2,1-3H3
InChIKeyXIJHZMHDIFTPBM-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2R)-2-ethyl-1-methylpiperidine
CID 67552955
ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
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(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2,6-diethyl-1,4-dimethylpiperazine
CID 21389198
2,6-diethyl-1-propylpiperidine
CID 170625295
5-ethyl-1-methylpyrrolidin-2-ol
CID 178147452
5-ethyl-4-methyl-4-azabicyclo[10.3.1]hexadecane
CID 170112638
1,2-diethylpiperidine
CID 19604037
2-ethyl-1-azabicyclo[7.3.1]tridecane
CID 130354528
2-ethyl-7-methylazepan-1-amine
CID 145095220
(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
CID 159513333
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-methylazepane?
The IUPAC name of 2,7-diethyl-1-methylazepane (CID 146499185) is 2,7-diethyl-1-methylazepane.
What is the SMILES notation for 2,7-diethyl-1-methylazepane?
The canonical SMILES for 2,7-diethyl-1-methylazepane is CCC1CCCCC(CC)N1C.
What is the InChIKey of 2,7-diethyl-1-methylazepane?
The InChIKey is XIJHZMHDIFTPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10-8-6-7-9-11(5-2)12(10)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2,7-diethyl-1-methylazepane?
2,7-diethyl-1-methylazepane has a molecular weight of 169.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1-methylazepane is sourced from PubChem (CID 146499185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).