2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol

C9H17N3O — CID 61493788

IUPAC2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
SMILESCc1nccn1CCNC(C)CO
InChIInChI=1S/C9H17N3O/c1-8(7-13)10-3-5-12-6-4-11-9(12)2/h4,6,8,10,13H,3,5,7H2,1-2H3
InChIKeyNEYFALRPCJKFQB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.16
Rot. Bonds5

About 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol

2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol (PubChem CID 61493788) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
PubChem CID61493788
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
SMILESCc1nccn1CCNC(C)CO
InChIInChI=1S/C9H17N3O/c1-8(7-13)10-3-5-12-6-4-11-9(12)2/h4,6,8,10,13H,3,5,7H2,1-2H3
InChIKeyNEYFALRPCJKFQB-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261116
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81372752
2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol
CID 115778202
N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 131916831
(1R)-1-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81380913
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81379316
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
CID 103780084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol (CID 61493788) is 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol is Cc1nccn1CCNC(C)CO.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol?
The InChIKey is NEYFALRPCJKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(7-13)10-3-5-12-6-4-11-9(12)2/h4,6,8,10,13H,3,5,7H2,1-2H3.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol?
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 61493788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).