N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine

C18H25N3 — CID 50978297

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc2ccccc2n1)CC1CCN(C)C1
InChIInChI=1S/C18H25N3/c1-3-21(13-15-10-11-20(2)12-15)14-17-9-8-16-6-4-5-7-18(16)19-17/h4-9,15H,3,10-14H2,1-2H3
InChIKeyMPTUWFIXZMCCKG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.01
Rot. Bonds5

About N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine

N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 50978297) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID50978297
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc2ccccc2n1)CC1CCN(C)C1
InChIInChI=1S/C18H25N3/c1-3-21(13-15-10-11-20(2)12-15)14-17-9-8-16-6-4-5-7-18(16)19-17/h4-9,15H,3,10-14H2,1-2H3
InChIKeyMPTUWFIXZMCCKG-UHFFFAOYSA-N
XLogP3.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine (CID 50978297) is N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine is CCN(Cc1ccc2ccccc2n1)CC1CCN(C)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is MPTUWFIXZMCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-21(13-15-10-11-20(2)12-15)14-17-9-8-16-6-4-5-7-18(16)19-17/h4-9,15H,3,10-14H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine?
N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 50978297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).