2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine

C10H19N3O — CID 104649116

IUPAC2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
SMILESCOCCCCn1cnc(CCN)c1
InChIInChI=1S/C10H19N3O/c1-14-7-3-2-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3
InChIKeyXNCIUDBVSAJTSO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.81
Rot. Bonds7

About 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine

2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine (PubChem CID 104649116) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
PubChem CID104649116
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
SMILESCOCCCCn1cnc(CCN)c1
InChIInChI=1S/C10H19N3O/c1-14-7-3-2-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3
InChIKeyXNCIUDBVSAJTSO-UHFFFAOYSA-N
XLogP0.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.81
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

2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
CID 104649119
2-[1-(methoxymethyl)imidazol-4-yl]ethanamine
CID 106720976
1-(4-methoxybutyl)imidazol-4-amine
CID 165473634
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 79983250
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate
CID 70612970
2-(1-but-3-ynylimidazol-4-yl)ethanamine
CID 79982811
[4-(2-aminoethyl)imidazol-1-yl]methanol
CID 175329760

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine (CID 104649116) is 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine is COCCCCn1cnc(CCN)c1.
What is the InChIKey of 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine?
The InChIKey is XNCIUDBVSAJTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-14-7-3-2-6-13-8-10(4-5-11)12-9-13/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine?
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104649116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).