N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

C13H23N3O — CID 106718975

IUPACN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC2CCCO2)cn1
InChIInChI=1S/C13H23N3O/c1-2-6-14-9-12-10-16(11-15-12)7-5-13-4-3-8-17-13/h10-11,13-14H,2-9H2,1H3
InChIKeyAZDXDVHREUBUJS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds7

About N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106718975) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106718975
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC2CCCO2)cn1
InChIInChI=1S/C13H23N3O/c1-2-6-14-9-12-10-16(11-15-12)7-5-13-4-3-8-17-13/h10-11,13-14H,2-9H2,1H3
InChIKeyAZDXDVHREUBUJS-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
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
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719181
1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
CID 106721447
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 112668905
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719205
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 106718975) is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCC2CCCO2)cn1.
What is the InChIKey of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is AZDXDVHREUBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-6-14-9-12-10-16(11-15-12)7-5-13-4-3-8-17-13/h10-11,13-14H,2-9H2,1H3.
What are the key properties of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106718975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).