ethyl 2-(4-methylazepan-1-yl)pentanoate

C14H27NO2 — CID 79002816

IUPACethyl 2-(4-methylazepan-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-7-13(14(16)17-5-2)15-10-6-8-12(3)9-11-15/h12-13H,4-11H2,1-3H3
InChIKeyGYZXSQDDCMXMND-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-(4-methylazepan-1-yl)pentanoate

ethyl 2-(4-methylazepan-1-yl)pentanoate (PubChem CID 79002816) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-(4-methylazepan-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylazepan-1-yl)pentanoate
PubChem CID79002816
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-(4-methylazepan-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-7-13(14(16)17-5-2)15-10-6-8-12(3)9-11-15/h12-13H,4-11H2,1-3H3
InChIKeyGYZXSQDDCMXMND-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylazepan-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-methylazepan-1-yl)pentanoate (CID 79002816) is ethyl 2-(4-methylazepan-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-methylazepan-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-methylazepan-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylazepan-1-yl)pentanoate?
The InChIKey is GYZXSQDDCMXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-7-13(14(16)17-5-2)15-10-6-8-12(3)9-11-15/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(4-methylazepan-1-yl)pentanoate?
ethyl 2-(4-methylazepan-1-yl)pentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylazepan-1-yl)pentanoate is sourced from PubChem (CID 79002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).