N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine

C11H19N3O — CID 62741381

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1[nH]cnc1CNCCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-5-4-10-3-2-6-15-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyWCRJGZLAJRCUJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds5

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 62741381) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID62741381
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1[nH]cnc1CNCCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-5-4-10-3-2-6-15-10/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyWCRJGZLAJRCUJH-UHFFFAOYSA-N
XLogP1.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 62741381) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine is Cc1[nH]cnc1CNCCC1CCCO1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is WCRJGZLAJRCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-11(14-8-13-9)7-12-5-4-10-3-2-6-15-10/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62741381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).