2-ethyl-4,7-dimethylazepane

C10H21N — CID 123848676

IUPAC2-ethyl-4,7-dimethylazepane
SMILESCCC1CC(C)CCC(C)N1
InChIInChI=1S/C10H21N/c1-4-10-7-8(2)5-6-9(3)11-10/h8-11H,4-7H2,1-3H3
InChIKeyIHESRJOWLQKMSB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds1

About 2-ethyl-4,7-dimethylazepane

2-ethyl-4,7-dimethylazepane (PubChem CID 123848676) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-ethyl-4,7-dimethylazepane.

Molecular Properties

Compound Name2-ethyl-4,7-dimethylazepane
PubChem CID123848676
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-ethyl-4,7-dimethylazepane
SMILESCCC1CC(C)CCC(C)N1
InChIInChI=1S/C10H21N/c1-4-10-7-8(2)5-6-9(3)11-10/h8-11H,4-7H2,1-3H3
InChIKeyIHESRJOWLQKMSB-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-ethyl-4-methylpiperidine
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2,4-dimethyl-6-propylpiperidine
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(2S,5R)-2-methyl-5-pentadecylpyrrolidine
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(2S,5S)-2-methyl-5-nonylpyrrolidine
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3-ethyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine
CID 66230766
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
2,4,6-triethyl-1,3-diazinane
CID 159915863
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-dimethylazepane?
The IUPAC name of 2-ethyl-4,7-dimethylazepane (CID 123848676) is 2-ethyl-4,7-dimethylazepane.
What is the SMILES notation for 2-ethyl-4,7-dimethylazepane?
The canonical SMILES for 2-ethyl-4,7-dimethylazepane is CCC1CC(C)CCC(C)N1.
What is the InChIKey of 2-ethyl-4,7-dimethylazepane?
The InChIKey is IHESRJOWLQKMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-10-7-8(2)5-6-9(3)11-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4,7-dimethylazepane?
2-ethyl-4,7-dimethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-dimethylazepane is sourced from PubChem (CID 123848676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).