ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate

C17H33NO2 — CID 65087751

IUPACethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCC(CC)CC1
InChIInChI=1S/C17H33NO2/c1-5-15-10-9-12-17(13-11-15,18(6-2)7-3)14-16(19)20-8-4/h15H,5-14H2,1-4H3
InChIKeyOHNMTMHRMBCKJT-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.01
Rot. Bonds7

About ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate

ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate (PubChem CID 65087751) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
PubChem CID65087751
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCC(CC)CC1
InChIInChI=1S/C17H33NO2/c1-5-15-10-9-12-17(13-11-15,18(6-2)7-3)14-16(19)20-8-4/h15H,5-14H2,1-4H3
InChIKeyOHNMTMHRMBCKJT-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
CID 64624874
ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
CID 64541600
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708
ethyl 2-[3-(diethylamino)-1,1-dioxothiolan-3-yl]acetate
CID 64541828
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate?
The IUPAC name of ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate (CID 65087751) is ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate.
What is the SMILES notation for ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate?
The canonical SMILES for ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate is CCOC(=O)CC1(N(CC)CC)CCCC(CC)CC1.
What is the InChIKey of ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate?
The InChIKey is OHNMTMHRMBCKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-15-10-9-12-17(13-11-15,18(6-2)7-3)14-16(19)20-8-4/h15H,5-14H2,1-4H3.
What are the key properties of ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate?
ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate has a molecular weight of 283.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate is sourced from PubChem (CID 65087751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).