N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C14H25N3O — CID 114023285

IUPACN-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3O/c1-13(2)7-10(14(3,4)18-13)12(15-5)11-8-17(6)9-16-11/h8-10,12,15H,7H2,1-6H3
InChIKeyKJIJLGVHNQCGJS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114023285) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114023285
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3O/c1-13(2)7-10(14(3,4)18-13)12(15-5)11-8-17(6)9-16-11/h8-10,12,15H,7H2,1-6H3
InChIKeyKJIJLGVHNQCGJS-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107977785
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103444028
[(1-methylimidazol-4-yl)-spiro[2.2]pentan-2-ylmethyl]hydrazine
CID 164651891
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623446
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105052913
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114023285) is N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CNC(c1cn(C)cn1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is KJIJLGVHNQCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2)7-10(14(3,4)18-13)12(15-5)11-8-17(6)9-16-11/h8-10,12,15H,7H2,1-6H3.
What are the key properties of N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114023285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).