N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine

C12H18N4 — CID 66413353

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCCn1cccc1CNCCn1ccnc1
InChIInChI=1S/C12H18N4/c1-2-16-7-3-4-12(16)10-13-5-8-15-9-6-14-11-15/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3
InChIKeyQIVZWOUKSVTCCC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.49
Rot. Bonds6

About N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine

N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine (PubChem CID 66413353) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
PubChem CID66413353
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCCn1cccc1CNCCn1ccnc1
InChIInChI=1S/C12H18N4/c1-2-16-7-3-4-12(16)10-13-5-8-15-9-6-14-11-15/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3
InChIKeyQIVZWOUKSVTCCC-UHFFFAOYSA-N
XLogP1.49
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.49
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

4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
CID 80648565
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine (CID 66413353) is N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine is CCn1cccc1CNCCn1ccnc1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine?
The InChIKey is QIVZWOUKSVTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-16-7-3-4-12(16)10-13-5-8-15-9-6-14-11-15/h3-4,6-7,9,11,13H,2,5,8,10H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine?
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 66413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).