N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine

C17H26N2O2 — CID 63299369

IUPACN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C17H26N2O2/c1-3-19(15-7-8-18-12-15)13(2)14-5-6-16-17(11-14)21-10-4-9-20-16/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyTVZMZXSLGOEWSX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63299369) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
PubChem CID63299369
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C17H26N2O2/c1-3-19(15-7-8-18-12-15)13(2)14-5-6-16-17(11-14)21-10-4-9-20-16/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyTVZMZXSLGOEWSX-UHFFFAOYSA-N
XLogP2.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyrrolidin-3-amine
CID 63297147
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylazepan-4-amine
CID 107172067
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 112565451
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine (CID 63299369) is N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine is CCN(C1CCNC1)C(C)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is TVZMZXSLGOEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(15-7-8-18-12-15)13(2)14-5-6-16-17(11-14)21-10-4-9-20-16/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine?
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).