N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

C20H29N3 — CID 133402615

IUPACN-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2cc(CC)nc3ccccc23)C1
InChIInChI=1S/C20H29N3/c1-4-11-22(3)14-16-10-12-23(15-16)20-13-17(5-2)21-19-9-7-6-8-18(19)20/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3
InChIKeySHZXSANOJAAJRH-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.97
Rot. Bonds6

About N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 133402615) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID133402615
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2cc(CC)nc3ccccc23)C1
InChIInChI=1S/C20H29N3/c1-4-11-22(3)14-16-10-12-23(15-16)20-13-17(5-2)21-19-9-7-6-8-18(19)20/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3
InChIKeySHZXSANOJAAJRH-UHFFFAOYSA-N
XLogP3.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
N-methyl-N-[[1-(1,6-naphthyridin-5-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 146142054
[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867
1-[4-(4-ethylpiperidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63377701
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
4-(2-ethylquinolin-4-yl)thiomorpholine
CID 133400472
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 71995873
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (CID 133402615) is N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is CCCN(C)CC1CCN(c2cc(CC)nc3ccccc23)C1.
What is the InChIKey of N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is SHZXSANOJAAJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-4-11-22(3)14-16-10-12-23(15-16)20-13-17(5-2)21-19-9-7-6-8-18(19)20/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3.
What are the key properties of N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 133402615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).