1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

C12H21N3O — CID 114399661

IUPAC1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCCN1CCOC(CNCc2ccc[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-2-15-6-7-16-12(10-15)9-13-8-11-4-3-5-14-11/h3-5,12-14H,2,6-10H2,1H3
InChIKeyMEJCQDJJGDNGMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.82
Rot. Bonds5

About 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 114399661) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID114399661
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCCN1CCOC(CNCc2ccc[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-2-15-6-7-16-12(10-15)9-13-8-11-4-3-5-14-11/h3-5,12-14H,2,6-10H2,1H3
InChIKeyMEJCQDJJGDNGMV-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

[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78960579
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
1-(4-ethylmorpholin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 114399580

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 114399661) is 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is CCN1CCOC(CNCc2ccc[nH]2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is MEJCQDJJGDNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-6-7-16-12(10-15)9-13-8-11-4-3-5-14-11/h3-5,12-14H,2,6-10H2,1H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine 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 1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 114399661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).