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

C9H17N3O — CID 63975168

IUPAC3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCOC)c1nccn1C
InChIInChI=1S/C9H17N3O/c1-10-8(4-7-13-3)9-11-5-6-12(9)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeyKNWIVKQDSMXPJC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.72
Rot. Bonds5

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

3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 63975168) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID63975168
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCOC)c1nccn1C
InChIInChI=1S/C9H17N3O/c1-10-8(4-7-13-3)9-11-5-6-12(9)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeyKNWIVKQDSMXPJC-UHFFFAOYSA-N
XLogP0.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
[4-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butyl]hydrazine
CID 105308328
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876706
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 116718762
N-methyl-1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475583
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79616214
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine (CID 63975168) is 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCOC)c1nccn1C.
What is the InChIKey of 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is KNWIVKQDSMXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-8(4-7-13-3)9-11-5-6-12(9)2/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 63975168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).