1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C14H25N3O2 — CID 114530792

IUPAC1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)C1(OC)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-15-12(4-5-13-16-8-9-17(13)2)14(18-3)6-10-19-11-7-14/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyBGWWQJNRWBCUGN-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.14
Rot. Bonds6

About 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530792) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530792
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)C1(OC)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-15-12(4-5-13-16-8-9-17(13)2)14(18-3)6-10-19-11-7-14/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyBGWWQJNRWBCUGN-UHFFFAOYSA-N
XLogP1.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methoxycyclobutyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105270412
1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530787
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
N-methyl-1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011656
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530792) is 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is BGWWQJNRWBCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-12(4-5-13-16-8-9-17(13)2)14(18-3)6-10-19-11-7-14/h8-9,12,15H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).