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

C17H23N3 — CID 62592330

IUPACN-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13(2)18-12-15-7-5-11-20(15)17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,13,15,18H,5,7,11-12H2,1-2H3
InChIKeyMTQWEPBKGZEWKQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.20
Rot. Bonds4

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

N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine (PubChem CID 62592330) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine
PubChem CID62592330
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13(2)18-12-15-7-5-11-20(15)17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,13,15,18H,5,7,11-12H2,1-2H3
InChIKeyMTQWEPBKGZEWKQ-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine (CID 62592330) is N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine is CC(C)NCC1CCCN1c1ccc2ccccc2n1.
What is the InChIKey of N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine?
The InChIKey is MTQWEPBKGZEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)18-12-15-7-5-11-20(15)17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,13,15,18H,5,7,11-12H2,1-2H3.
What are the key properties of N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine?
N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).