N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine

C17H27N3 — CID 106902191

IUPACN-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
SMILESCN(CCN1CCCC1)CC1CNc2ccccc2C1
InChIInChI=1S/C17H27N3/c1-19(10-11-20-8-4-5-9-20)14-15-12-16-6-2-3-7-17(16)18-13-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyHYTFKFGJRGHNNT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine

N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine (PubChem CID 106902191) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
PubChem CID106902191
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
SMILESCN(CCN1CCCC1)CC1CNc2ccccc2C1
InChIInChI=1S/C17H27N3/c1-19(10-11-20-8-4-5-9-20)14-15-12-16-6-2-3-7-17(16)18-13-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyHYTFKFGJRGHNNT-UHFFFAOYSA-N
XLogP2.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902202
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)piperidin-4-amine
CID 106901995
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine (CID 106902191) is N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine is CN(CCN1CCCC1)CC1CNc2ccccc2C1.
What is the InChIKey of N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The InChIKey is HYTFKFGJRGHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(10-11-20-8-4-5-9-20)14-15-12-16-6-2-3-7-17(16)18-13-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3.
What are the key properties of N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106902191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).