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

C15H27N3O — CID 79604413

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCn1c(C)cc(CNCCN2CCOCC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-18-13(2)11-15(14(18)3)12-16-5-6-17-7-9-19-10-8-17/h11,16H,4-10,12H2,1-3H3
InChIKeyUCRKNVPBJMHPQD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.55
Rot. Bonds6

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

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 79604413) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID79604413
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCn1c(C)cc(CNCCN2CCOCC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-18-13(2)11-15(14(18)3)12-16-5-6-17-7-9-19-10-8-17/h11,16H,4-10,12H2,1-3H3
InChIKeyUCRKNVPBJMHPQD-UHFFFAOYSA-N
XLogP1.55
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 79604938
N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
CID 79605149
4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
CID 45028510
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005201
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine (CID 79604413) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine is CCn1c(C)cc(CNCCN2CCOCC2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is UCRKNVPBJMHPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18-13(2)11-15(14(18)3)12-16-5-6-17-7-9-19-10-8-17/h11,16H,4-10,12H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 265.40 g/mol, XLogP of 1.55, 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-morpholin-4-ylethanamine is sourced from PubChem (CID 79604413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).