1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

C17H26N2 — CID 55166125

IUPAC1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1(CN2c3ccccc3CCC2C)CCNC1
InChIInChI=1S/C17H26N2/c1-3-17(10-11-18-12-17)13-19-14(2)8-9-15-6-4-5-7-16(15)19/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyTWXDAPLUMBHNCM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.22
Rot. Bonds3

About 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 55166125) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID55166125
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1(CN2c3ccccc3CCC2C)CCNC1
InChIInChI=1S/C17H26N2/c1-3-17(10-11-18-12-17)13-19-14(2)8-9-15-6-4-5-7-16(15)19/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyTWXDAPLUMBHNCM-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 94280
CID 94280
CID 65684
CID 65684
CID 66678
CID 66678
CID 70865
CID 70865
CID 69460
CID 69460
CID 23305
CID 23305
CID 65700
CID 65700
CID 88890
CID 88890
CID 91965
CID 91965
CID 86854
CID 86854
CID 96289
CID 96289
CID 2736460
CID 2736460

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 55166125) is 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is CCC1(CN2c3ccccc3CCC2C)CCNC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is TWXDAPLUMBHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-17(10-11-18-12-17)13-19-14(2)8-9-15-6-4-5-7-16(15)19/h4-7,14,18H,3,8-13H2,1-2H3.
What are the key properties of 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 258.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 55166125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).