1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine

C14H20N4O — CID 106561963

IUPAC1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)c1cccnc1
InChIInChI=1S/C14H20N4O/c1-12(13-5-3-6-15-11-13)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,16,17)
InChIKeyWUMWMTKGSWIXOF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.49
Rot. Bonds7

About 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine

1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine (PubChem CID 106561963) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
PubChem CID106561963
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)c1cccnc1
InChIInChI=1S/C14H20N4O/c1-12(13-5-3-6-15-11-13)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,16,17)
InChIKeyWUMWMTKGSWIXOF-UHFFFAOYSA-N
XLogP2.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.49
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

1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106570013
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
1-methyl-N-(1-pyridin-3-ylethyl)tetrazol-5-amine
CID 63152413
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine (CID 106561963) is 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine is COCCCn1ccnc1NC(C)c1cccnc1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine?
The InChIKey is WUMWMTKGSWIXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12(13-5-3-6-15-11-13)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine?
1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).