N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

C13H23N3O — CID 79761761

IUPACN-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)10-11(14-2)12-5-4-9-17-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyLSDKLSUXMCBQIX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.60
Rot. Bonds6

About N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79761761) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79761761
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)10-11(14-2)12-5-4-9-17-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyLSDKLSUXMCBQIX-UHFFFAOYSA-N
XLogP1.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
oxolan-2-yl-(1-propylimidazol-2-yl)methanamine
CID 65331088
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (CID 79761761) is N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is LSDKLSUXMCBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)10-11(14-2)12-5-4-9-17-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79761761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).