N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine

C13H23N3O — CID 65332085

IUPACN-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)12(14-2)11-5-4-9-17-10-11/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyQTMFNABSAMMKQU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine

N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 65332085) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
PubChem CID65332085
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1CCCOC1
InChIInChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)12(14-2)11-5-4-9-17-10-11/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyQTMFNABSAMMKQU-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-methyl-1-(oxolan-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65328911
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
[(1-methylimidazol-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105229949
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
oxolan-2-yl-(1-propylimidazol-2-yl)methanamine
CID 65331088
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
CID 115900976
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine (CID 65332085) is N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)C1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is QTMFNABSAMMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-16-8-6-15-13(16)12(14-2)11-5-4-9-17-10-11/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine?
N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 65332085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).