N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine

C16H21N3 — CID 62634247

IUPACN-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ccc3ncccc3c2)C1
InChIInChI=1S/C16H21N3/c1-2-17-11-13-7-9-19(12-13)15-5-6-16-14(10-15)4-3-8-18-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3
InChIKeyVYQMNZWYKVYNIB-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.67
Rot. Bonds4

About N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine

N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 62634247) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID62634247
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ccc3ncccc3c2)C1
InChIInChI=1S/C16H21N3/c1-2-17-11-13-7-9-19(12-13)15-5-6-16-14(10-15)4-3-8-18-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3
InChIKeyVYQMNZWYKVYNIB-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-propyl-1-quinolin-6-ylpyrrolidin-3-amine
CID 62635980
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
N-[[1-(3-propan-2-yloxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792855
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 97217638
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344
N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
CID 114789523
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine (CID 62634247) is N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine is CCNCC1CCN(c2ccc3ncccc3c2)C1.
What is the InChIKey of N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is VYQMNZWYKVYNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-17-11-13-7-9-19(12-13)15-5-6-16-14(10-15)4-3-8-18-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3.
What are the key properties of N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine?
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62634247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).