N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

C14H22N4O — CID 66402830

IUPACN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCCn1ccnc1Cn1cccc1CNCCOC
InChIInChI=1S/C14H22N4O/c1-3-17-9-6-16-14(17)12-18-8-4-5-13(18)11-15-7-10-19-2/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyHXXOUVXZMXILOC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.49
Rot. Bonds8

About N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66402830) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
PubChem CID66402830
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCCn1ccnc1Cn1cccc1CNCCOC
InChIInChI=1S/C14H22N4O/c1-3-17-9-6-16-14(17)12-18-8-4-5-13(18)11-15-7-10-19-2/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyHXXOUVXZMXILOC-UHFFFAOYSA-N
XLogP1.49
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402832
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403219
N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401466
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (CID 66402830) is N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is CCn1ccnc1Cn1cccc1CNCCOC.
What is the InChIKey of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is HXXOUVXZMXILOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17-9-6-16-14(17)12-18-8-4-5-13(18)11-15-7-10-19-2/h4-6,8-9,15H,3,7,10-12H2,1-2H3.
What are the key properties of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66402830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).