3-(pyrrolidin-1-ylmethyl)quinolin-2-amine

C14H17N3 — CID 55046492

IUPAC3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCCC1
InChIInChI=1S/C14H17N3/c15-14-12(10-17-7-3-4-8-17)9-11-5-1-2-6-13(11)16-14/h1-2,5-6,9H,3-4,7-8,10H2,(H2,15,16)
InChIKeyANVFKJFGESJQKG-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.41
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine

3-(pyrrolidin-1-ylmethyl)quinolin-2-amine (PubChem CID 55046492) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
PubChem CID55046492
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCCC1
InChIInChI=1S/C14H17N3/c15-14-12(10-17-7-3-4-8-17)9-11-5-1-2-6-13(11)16-14/h1-2,5-6,9H,3-4,7-8,10H2,(H2,15,16)
InChIKeyANVFKJFGESJQKG-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
CID 62178935
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
CID 62182409
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine
CID 62244240
1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114681766
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991
3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
CID 63634223
N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
CID 62178051
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine (CID 55046492) is 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine is Nc1nc2ccccc2cc1CN1CCCC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine?
The InChIKey is ANVFKJFGESJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-14-12(10-17-7-3-4-8-17)9-11-5-1-2-6-13(11)16-14/h1-2,5-6,9H,3-4,7-8,10H2,(H2,15,16).
What are the key properties of 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine?
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 55046492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).