N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine

C13H24N4O — CID 114128208

IUPACN,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
SMILESCN(C)CCOCCn1cncc1C1CCCN1
InChIInChI=1S/C13H24N4O/c1-16(2)6-8-18-9-7-17-11-14-10-13(17)12-4-3-5-15-12/h10-12,15H,3-9H2,1-2H3
InChIKeyKCSYLUFQULHNGG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.89
Rot. Bonds7

About N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine

N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine (PubChem CID 114128208) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
PubChem CID114128208
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
SMILESCN(C)CCOCCn1cncc1C1CCCN1
InChIInChI=1S/C13H24N4O/c1-16(2)6-8-18-9-7-17-11-14-10-13(17)12-4-3-5-15-12/h10-12,15H,3-9H2,1-2H3
InChIKeyKCSYLUFQULHNGG-UHFFFAOYSA-N
XLogP0.89
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
CID 104941646
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine (CID 114128208) is N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine is CN(C)CCOCCn1cncc1C1CCCN1.
What is the InChIKey of N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is KCSYLUFQULHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16(2)6-8-18-9-7-17-11-14-10-13(17)12-4-3-5-15-12/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine?
N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 114128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).