1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol

C11H19N3O2 — CID 110929248

IUPAC1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ncc[nH]1)COCC1CC1
InChIInChI=1S/C11H19N3O2/c15-10(8-16-7-9-1-2-9)5-12-6-11-13-3-4-14-11/h3-4,9-10,12,15H,1-2,5-8H2,(H,13,14)
InChIKeyJEHUKRAUANBPFF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.29
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol (PubChem CID 110929248) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
PubChem CID110929248
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ncc[nH]1)COCC1CC1
InChIInChI=1S/C11H19N3O2/c15-10(8-16-7-9-1-2-9)5-12-6-11-13-3-4-14-11/h3-4,9-10,12,15H,1-2,5-8H2,(H,13,14)
InChIKeyJEHUKRAUANBPFF-UHFFFAOYSA-N
XLogP0.29
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 162662732
cyclopropyl(1H-imidazol-2-yl)methanol
CID 80283564
Imidazolylglycerol
CID 57094595
2-(2-Dioxanyl) imidazole
CID 57454626
1-(2,3-Di-hydroxyl-propyl)-imidazolium bromide
CID 129846512
1-((3-(1h-Imidazol-1-yl)propyl)amino)-3-butoxypropan-2-ol
CID 164886000
1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103210199
(2R)-3-(1H-imidazol-2-yl)-1,2-propanediol
CID 12109867
1-(1H-imidazol-2-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 21987675
1-(1H-imidazol-2-yl)-2-(2-trimethylsilylethoxy)ethanol
CID 22486262
1-Butoxy-3-(2-methylimidazol-1-yl)propan-2-ol
CID 22603885
2-(2,3-Dihydroxypropyl)imidazole
CID 22733347

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol (CID 110929248) is 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol is OC(CNCc1ncc[nH]1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The InChIKey is JEHUKRAUANBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-10(8-16-7-9-1-2-9)5-12-6-11-13-3-4-14-11/h3-4,9-10,12,15H,1-2,5-8H2,(H,13,14).
What are the key properties of 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 110929248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).