1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C13H27N3O — CID 79171854

IUPAC1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCN1CCOC(CN2CCCC2CNC)C1
InChIInChI=1S/C13H27N3O/c1-3-15-7-8-17-13(10-15)11-16-6-4-5-12(16)9-14-2/h12-14H,3-11H2,1-2H3
InChIKeyYEMNMBPKXIMYNY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds5

About 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 79171854) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID79171854
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCN1CCOC(CN2CCCC2CNC)C1
InChIInChI=1S/C13H27N3O/c1-3-15-7-8-17-13(10-15)11-16-6-4-5-12(16)9-14-2/h12-14H,3-11H2,1-2H3
InChIKeyYEMNMBPKXIMYNY-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 79174620
2,4-diethylmorpholine
CID 58988021
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
2-[(2R)-4-ethylmorpholin-2-yl]-N-methylethanamine;molecular hydrogen
CID 169214323
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409
N-[(4-ethylmorpholin-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83014407

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 79171854) is 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CCN1CCOC(CN2CCCC2CNC)C1.
What is the InChIKey of 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is YEMNMBPKXIMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-15-7-8-17-13(10-15)11-16-6-4-5-12(16)9-14-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79171854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).