2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C15H26N4O — CID 91829587

IUPAC2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)CCN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H26N4O/c1-17-5-4-16-15(17)12-18(8-9-20)6-7-19-11-13-2-3-14(19)10-13/h4-5,13-14,20H,2-3,6-12H2,1H3/t13-,14+/m0/s1
InChIKeyHWJGWXBIQRNQGF-UONOGXRCSA-N
MW278.40 g/mol
LogP0.70
Rot. Bonds7

About 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 91829587) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID91829587
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)CCN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H26N4O/c1-17-5-4-16-15(17)12-18(8-9-20)6-7-19-11-13-2-3-14(19)10-13/h4-5,13-14,20H,2-3,6-12H2,1H3/t13-,14+/m0/s1
InChIKeyHWJGWXBIQRNQGF-UONOGXRCSA-N
XLogP0.70
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 91829587) is 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)CCN1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is HWJGWXBIQRNQGF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N4O/c1-17-5-4-16-15(17)12-18(8-9-20)6-7-19-11-13-2-3-14(19)10-13/h4-5,13-14,20H,2-3,6-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 91829587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).