N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine

C10H19N3O — CID 114856593

IUPACN-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ncc[nH]1
InChIInChI=1S/C10H19N3O/c1-3-11-9(5-4-8-14-2)10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyCKCWRAQHUBZRHC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine

N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine (PubChem CID 114856593) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
PubChem CID114856593
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ncc[nH]1
InChIInChI=1S/C10H19N3O/c1-3-11-9(5-4-8-14-2)10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyCKCWRAQHUBZRHC-UHFFFAOYSA-N
XLogP1.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine
CID 83160750
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464718
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
CID 116510318
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine (CID 114856593) is N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine is CCNC(CCCOC)c1ncc[nH]1.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine?
The InChIKey is CKCWRAQHUBZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-9(5-4-8-14-2)10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine?
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 114856593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).