2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine

C18H25N3 — CID 62513694

IUPAC2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(c2cccc3cccnc23)C1
InChIInChI=1S/C18H25N3/c1-18(2,3)20-12-14-9-11-21(13-14)16-8-4-6-15-7-5-10-19-17(15)16/h4-8,10,14,20H,9,11-13H2,1-3H3
InChIKeyQQIDEBKPTWVPGN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 62513694) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID62513694
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(c2cccc3cccnc23)C1
InChIInChI=1S/C18H25N3/c1-18(2,3)20-12-14-9-11-21(13-14)16-8-4-6-15-7-5-10-19-17(15)16/h4-8,10,14,20H,9,11-13H2,1-3H3
InChIKeyQQIDEBKPTWVPGN-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-quinolin-8-ylpyrrolidin-3-yl)methanol
CID 64863292
2-methyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512720
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
2-methyl-N-[[1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63327737
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 107600717
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine (CID 62513694) is 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine is CC(C)(C)NCC1CCN(c2cccc3cccnc23)C1.
What is the InChIKey of 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is QQIDEBKPTWVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)20-12-14-9-11-21(13-14)16-8-4-6-15-7-5-10-19-17(15)16/h4-8,10,14,20H,9,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 62513694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).