N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine

C14H25N3O — CID 79986071

IUPACN-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCCC2CCCO2)cn1
InChIInChI=1S/C14H25N3O/c1-2-15-8-7-13-11-17(12-16-13)9-3-5-14-6-4-10-18-14/h11-12,14-15H,2-10H2,1H3
InChIKeyCFSFIKPKLNCWAZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds8

About N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine

N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine (PubChem CID 79986071) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
PubChem CID79986071
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCCC2CCCO2)cn1
InChIInChI=1S/C14H25N3O/c1-2-15-8-7-13-11-17(12-16-13)9-3-5-14-6-4-10-18-14/h11-12,14-15H,2-10H2,1H3
InChIKeyCFSFIKPKLNCWAZ-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
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

N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718607
1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
CID 106721447
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
CID 79985662
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 79985012
1-[3-(oxolan-2-yl)propyl]pyrrole-3-carbaldehyde
CID 66408577
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 112668905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine (CID 79986071) is N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine is CCNCCc1cn(CCCC2CCCO2)cn1.
What is the InChIKey of N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine?
The InChIKey is CFSFIKPKLNCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-15-8-7-13-11-17(12-16-13)9-3-5-14-6-4-10-18-14/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine?
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79986071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).