N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine

C12H21N3O — CID 115238990

IUPACN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCN(CCC1COCCN1)Cc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-15(9-11-3-2-5-13-11)7-4-12-10-16-8-6-14-12/h2-3,5,12-14H,4,6-10H2,1H3
InChIKeyXEVUIBJHZVKOBY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.82
Rot. Bonds5

About N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine

N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 115238990) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID115238990
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCN(CCC1COCCN1)Cc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-15(9-11-3-2-5-13-11)7-4-12-10-16-8-6-14-12/h2-3,5,12-14H,4,6-10H2,1H3
InChIKeyXEVUIBJHZVKOBY-UHFFFAOYSA-N
XLogP0.82
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239043
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine
CID 115239045
N-(2-ethoxyethyl)-N-methyl-2-morpholin-3-ylethanamine
CID 81055134
N-methyl-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238898
N-methyl-2-morpholin-3-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239048
N-methyl-N-(2-morpholin-3-ylethyl)oxolan-3-amine
CID 82739178
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-(2-phenylethyl)morpholine
CID 54013840
N-methyl-N-(2-morpholin-3-ylethyl)-6-propylpyridazin-3-amine
CID 116974083
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 115238990) is N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine is CN(CCC1COCCN1)Cc1ccc[nH]1.
What is the InChIKey of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is XEVUIBJHZVKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15(9-11-3-2-5-13-11)7-4-12-10-16-8-6-14-12/h2-3,5,12-14H,4,6-10H2,1H3.
What are the key properties of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 115238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).