2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C11H21N3O — CID 114527770

IUPAC2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCOC(C)CNCCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-15-10(2)9-12-6-5-11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyKZBGTRJOMAGRRL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds7

About 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 114527770) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID114527770
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCOC(C)CNCCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-15-10(2)9-12-6-5-11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyKZBGTRJOMAGRRL-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
2-chloro-4,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 107155741
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 114527770) is 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCOC(C)CNCCc1nccn1C.
What is the InChIKey of 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is KZBGTRJOMAGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-15-10(2)9-12-6-5-11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114527770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).