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

C17H23N3 — CID 62783429

IUPACN-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H23N3/c1-2-8-18-11-14-7-9-20(13-14)16-10-15-5-3-4-6-17(15)19-12-16/h3-6,10,12,14,18H,2,7-9,11,13H2,1H3
InChIKeyRKUGRIHFCWVKNC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.06
Rot. Bonds5

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

N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 62783429) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID62783429
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H23N3/c1-2-8-18-11-14-7-9-20(13-14)16-10-15-5-3-4-6-17(15)19-12-16/h3-6,10,12,14,18H,2,7-9,11,13H2,1H3
InChIKeyRKUGRIHFCWVKNC-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
N-[[1-(3,5-dichlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513027
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 63586771
3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
CID 62783131
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512063

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 62783429) is N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCCNCC1CCN(c2cnc3ccccc3c2)C1.
What is the InChIKey of N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is RKUGRIHFCWVKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-8-18-11-14-7-9-20(13-14)16-10-15-5-3-4-6-17(15)19-12-16/h3-6,10,12,14,18H,2,7-9,11,13H2,1H3.
What are the key properties of N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62783429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).