N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C17H31N3O — CID 79611444

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCn1c(C)cc(CNCC(C)(C)N2CCOCC2)c1C
InChIInChI=1S/C17H31N3O/c1-6-20-14(2)11-16(15(20)3)12-18-13-17(4,5)19-7-9-21-10-8-19/h11,18H,6-10,12-13H2,1-5H3
InChIKeyIXTNSXBEAIPKJU-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.33
Rot. Bonds6

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 79611444) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID79611444
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCn1c(C)cc(CNCC(C)(C)N2CCOCC2)c1C
InChIInChI=1S/C17H31N3O/c1-6-20-14(2)11-16(15(20)3)12-18-13-17(4,5)19-7-9-21-10-8-19/h11,18H,6-10,12-13H2,1-5H3
InChIKeyIXTNSXBEAIPKJU-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663587
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79605409
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100066
N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 115356298
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 79611444) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CCn1c(C)cc(CNCC(C)(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is IXTNSXBEAIPKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-20-14(2)11-16(15(20)3)12-18-13-17(4,5)19-7-9-21-10-8-19/h11,18H,6-10,12-13H2,1-5H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79611444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).