[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol

C12H21N3O — CID 131896424

IUPAC[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol
SMILESCN(Cc1cncn1C)CC1(CO)CCC1
InChIInChI=1S/C12H21N3O/c1-14(7-11-6-13-10-15(11)2)8-12(9-16)4-3-5-12/h6,10,16H,3-5,7-9H2,1-2H3
InChIKeyIMRYGWXYWQOHMG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.01
Rot. Bonds5

About [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol

[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol (PubChem CID 131896424) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol
PubChem CID131896424
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol
SMILESCN(Cc1cncn1C)CC1(CO)CCC1
InChIInChI=1S/C12H21N3O/c1-14(7-11-6-13-10-15(11)2)8-12(9-16)4-3-5-12/h6,10,16H,3-5,7-9H2,1-2H3
InChIKeyIMRYGWXYWQOHMG-UHFFFAOYSA-N
XLogP1.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol (CID 131896424) is [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol is CN(Cc1cncn1C)CC1(CO)CCC1.
What is the InChIKey of [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol?
The InChIKey is IMRYGWXYWQOHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(7-11-6-13-10-15(11)2)8-12(9-16)4-3-5-12/h6,10,16H,3-5,7-9H2,1-2H3.
What are the key properties of [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol?
[1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 131896424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).