2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

C11H21N3O — CID 103859407

IUPAC2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCC(C)CO)[nH]1
InChIInChI=1S/C11H21N3O/c1-9(8-15)4-3-5-12-6-11-7-13-10(2)14-11/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNUFRZKALSGKMQD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.22
Rot. Bonds7

About 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (PubChem CID 103859407) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
PubChem CID103859407
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCC(C)CO)[nH]1
InChIInChI=1S/C11H21N3O/c1-9(8-15)4-3-5-12-6-11-7-13-10(2)14-11/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNUFRZKALSGKMQD-UHFFFAOYSA-N
XLogP1.22
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63983613
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547501
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
CID 107230249
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanoic acid
CID 62743108
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (CID 103859407) is 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is Cc1ncc(CNCCCC(C)CO)[nH]1.
What is the InChIKey of 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is NUFRZKALSGKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(8-15)4-3-5-12-6-11-7-13-10(2)14-11/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103859407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).