N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

C14H25N3O — CID 106719072

IUPACN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CC2CCC(C)(C)O2)cn1
InChIInChI=1S/C14H25N3O/c1-4-7-15-8-12-9-17(11-16-12)10-13-5-6-14(2,3)18-13/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyIQSQYRSRXSEQOM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds6

About N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719072) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719072
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CC2CCC(C)(C)O2)cn1
InChIInChI=1S/C14H25N3O/c1-4-7-15-8-12-9-17(11-16-12)10-13-5-6-14(2,3)18-13/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyIQSQYRSRXSEQOM-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719072) is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CC2CCC(C)(C)O2)cn1.
What is the InChIKey of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is IQSQYRSRXSEQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-15-8-12-9-17(11-16-12)10-13-5-6-14(2,3)18-13/h9,11,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).