3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol

C11H21N3O — CID 106720107

IUPAC3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
SMILESCC(C)CNCc1cn(CCCO)cn1
InChIInChI=1S/C11H21N3O/c1-10(2)6-12-7-11-8-14(9-13-11)4-3-5-15/h8-10,12,15H,3-7H2,1-2H3
InChIKeyMEKAKJDSLYRAFG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds7

About 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol

3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol (PubChem CID 106720107) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
PubChem CID106720107
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
SMILESCC(C)CNCc1cn(CCCO)cn1
InChIInChI=1S/C11H21N3O/c1-10(2)6-12-7-11-8-14(9-13-11)4-3-5-15/h8-10,12,15H,3-7H2,1-2H3
InChIKeyMEKAKJDSLYRAFG-UHFFFAOYSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
CID 114204186
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204100
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106720013
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol (CID 106720107) is 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol is CC(C)CNCc1cn(CCCO)cn1.
What is the InChIKey of 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol?
The InChIKey is MEKAKJDSLYRAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)6-12-7-11-8-14(9-13-11)4-3-5-15/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol?
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 106720107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).