2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol

C13H25N3O — CID 79356035

IUPAC2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)CNCc1nccn1CCC(C)(C)O
InChIInChI=1S/C13H25N3O/c1-11(2)9-14-10-12-15-6-8-16(12)7-5-13(3,4)17/h6,8,11,14,17H,5,7,9-10H2,1-4H3
InChIKeyYWXMTNOAKXLRSX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds7

About 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol

2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol (PubChem CID 79356035) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
PubChem CID79356035
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
SMILESCC(C)CNCc1nccn1CCC(C)(C)O
InChIInChI=1S/C13H25N3O/c1-11(2)9-14-10-12-15-6-8-16(12)7-5-13(3,4)17/h6,8,11,14,17H,5,7,9-10H2,1-4H3
InChIKeyYWXMTNOAKXLRSX-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol (CID 79356035) is 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol is CC(C)CNCc1nccn1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol?
The InChIKey is YWXMTNOAKXLRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)9-14-10-12-15-6-8-16(12)7-5-13(3,4)17/h6,8,11,14,17H,5,7,9-10H2,1-4H3.
What are the key properties of 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol?
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 79356035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).