1-ethyl-2,4,5-trimethylazepane

C11H23N — CID 118247359

IUPAC1-ethyl-2,4,5-trimethylazepane
SMILESCCN1CCC(C)C(C)CC1C
InChIInChI=1S/C11H23N/c1-5-12-7-6-9(2)10(3)8-11(12)4/h9-11H,5-8H2,1-4H3
InChIKeyJUGYIPXQPVWQSJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About 1-ethyl-2,4,5-trimethylazepane

1-ethyl-2,4,5-trimethylazepane (PubChem CID 118247359) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-ethyl-2,4,5-trimethylazepane.

Molecular Properties

Compound Name1-ethyl-2,4,5-trimethylazepane
PubChem CID118247359
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-ethyl-2,4,5-trimethylazepane
SMILESCCN1CCC(C)C(C)CC1C
InChIInChI=1S/C11H23N/c1-5-12-7-6-9(2)10(3)8-11(12)4/h9-11H,5-8H2,1-4H3
InChIKeyJUGYIPXQPVWQSJ-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2-diethyl-3-methylpyrrolidine;hydrofluoride
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N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
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N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
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1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
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(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
ethane;1-ethyl-2-methylazepane
CID 145020951
2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 142389432
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
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CID 115892178

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,5-trimethylazepane?
The IUPAC name of 1-ethyl-2,4,5-trimethylazepane (CID 118247359) is 1-ethyl-2,4,5-trimethylazepane.
What is the SMILES notation for 1-ethyl-2,4,5-trimethylazepane?
The canonical SMILES for 1-ethyl-2,4,5-trimethylazepane is CCN1CCC(C)C(C)CC1C.
What is the InChIKey of 1-ethyl-2,4,5-trimethylazepane?
The InChIKey is JUGYIPXQPVWQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-12-7-6-9(2)10(3)8-11(12)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2,4,5-trimethylazepane?
1-ethyl-2,4,5-trimethylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,5-trimethylazepane is sourced from PubChem (CID 118247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).