N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine

C12H23N3O — CID 65172293

IUPACN-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1c(CNCCOC)cnc1C
InChIInChI=1S/C12H23N3O/c1-4-5-7-15-11(2)14-10-12(15)9-13-6-8-16-3/h10,13H,4-9H2,1-3H3
InChIKeyCVHXBHRIBCHQRO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.73
Rot. Bonds8

About N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine

N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 65172293) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID65172293
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1c(CNCCOC)cnc1C
InChIInChI=1S/C12H23N3O/c1-4-5-7-15-11(2)14-10-12(15)9-13-6-8-16-3/h10,13H,4-9H2,1-3H3
InChIKeyCVHXBHRIBCHQRO-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.73
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-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409
2-methoxy-N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65172189
2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799
N-[[3-(4-methoxybutyl)-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104649983
2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 65172394
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine (CID 65172293) is N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine is CCCCn1c(CNCCOC)cnc1C.
What is the InChIKey of N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is CVHXBHRIBCHQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-7-15-11(2)14-10-12(15)9-13-6-8-16-3/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine?
N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65172293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).