1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol

C9H17N3O2 — CID 63930273

IUPAC1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNCCn1ccnc1
InChIInChI=1S/C9H17N3O2/c1-14-7-9(13)6-10-2-4-12-5-3-11-8-12/h3,5,8-10,13H,2,4,6-7H2,1H3
InChIKeySHILAAYJHYIPKE-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.52
Rot. Bonds7

About 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol

1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol (PubChem CID 63930273) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
PubChem CID63930273
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNCCn1ccnc1
InChIInChI=1S/C9H17N3O2/c1-14-7-9(13)6-10-2-4-12-5-3-11-8-12/h3,5,8-10,13H,2,4,6-7H2,1H3
InChIKeySHILAAYJHYIPKE-UHFFFAOYSA-N
XLogP-0.52
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-imidazol-1-ylbutylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989768
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199
(2R)-1-(3,5-dimethylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 25421946
1-(2-methoxyethyl)imidazole
CID 14366840
2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
CID 60689604
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol (CID 63930273) is 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol is COCC(O)CNCCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol?
The InChIKey is SHILAAYJHYIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-14-7-9(13)6-10-2-4-12-5-3-11-8-12/h3,5,8-10,13H,2,4,6-7H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol?
1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol has a molecular weight of 199.25 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).