(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol

C9H17N3O — CID 114985494

IUPAC(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
SMILESCCn1ccnc1CN[C@H](C)CO
InChIInChI=1S/C9H17N3O/c1-3-12-5-4-10-9(12)6-11-8(2)7-13/h4-5,8,11,13H,3,6-7H2,1-2H3/t8-/m1/s1
InChIKeyLHPMXMIWHBWXKH-MRVPVSSYSA-N
MW183.25 g/mol
LogP0.37
Rot. Bonds5

About (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol

(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol (PubChem CID 114985494) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
PubChem CID114985494
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
SMILESCCn1ccnc1CN[C@H](C)CO
InChIInChI=1S/C9H17N3O/c1-3-12-5-4-10-9(12)6-11-8(2)7-13/h4-5,8,11,13H,3,6-7H2,1-2H3/t8-/m1/s1
InChIKeyLHPMXMIWHBWXKH-MRVPVSSYSA-N
XLogP0.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688184
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 109380397
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
CID 62735689
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol (CID 114985494) is (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol is CCn1ccnc1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol?
The InChIKey is LHPMXMIWHBWXKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-12-5-4-10-9(12)6-11-8(2)7-13/h4-5,8,11,13H,3,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol?
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 114985494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).