2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol

C11H21N3O — CID 104554083

IUPAC2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
SMILESCCCn1cncc1CN(C)C(C)CO
InChIInChI=1S/C11H21N3O/c1-4-5-14-9-12-6-11(14)7-13(3)10(2)8-15/h6,9-10,15H,4-5,7-8H2,1-3H3
InChIKeyHULLHGHWZUMKMD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds6

About 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol

2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol (PubChem CID 104554083) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
PubChem CID104554083
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
SMILESCCCn1cncc1CN(C)C(C)CO
InChIInChI=1S/C11H21N3O/c1-4-5-14-9-12-6-11(14)7-13(3)10(2)8-15/h6,9-10,15H,4-5,7-8H2,1-3H3
InChIKeyHULLHGHWZUMKMD-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
CID 66130860
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
CID 115347460
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
CID 66153811
2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
CID 66153230
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79115486

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol (CID 104554083) is 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol is CCCn1cncc1CN(C)C(C)CO.
What is the InChIKey of 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol?
The InChIKey is HULLHGHWZUMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-14-9-12-6-11(14)7-13(3)10(2)8-15/h6,9-10,15H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol?
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 104554083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).