2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol

C12H23N3O — CID 106251314

IUPAC2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1nc[nH]c1C
InChIInChI=1S/C12H23N3O/c1-4-12(5-2,8-16)7-13-6-11-10(3)14-9-15-11/h9,13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyWISSAFWCKVLGAV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.61
Rot. Bonds7

About 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol (PubChem CID 106251314) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
PubChem CID106251314
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1nc[nH]c1C
InChIInChI=1S/C12H23N3O/c1-4-12(5-2,8-16)7-13-6-11-10(3)14-9-15-11/h9,13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyWISSAFWCKVLGAV-UHFFFAOYSA-N
XLogP1.61
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol with MolForge

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Related Compounds

2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol
CID 106172910
{3-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-piperidinyl}methanol
CID 72843654
2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
CID 57635651
[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479827
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81412067
2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride
CID 91127437
3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol
CID 123949701
2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29021769
2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 30722887
2-{1-isobutyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45209851
2-{1-cyclopentyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45240663
{1-[(4-methyl-1H-imidazol-5-yl)methyl]-2-piperidinyl}methanol
CID 45927582

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol (CID 106251314) is 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1nc[nH]c1C.
What is the InChIKey of 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol?
The InChIKey is WISSAFWCKVLGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(5-2,8-16)7-13-6-11-10(3)14-9-15-11/h9,13,16H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 106251314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).