1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine

C13H21N3O — CID 91829896

IUPAC1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCN(Cc1nccn1C1CC1)CC1(C)COC1
InChIInChI=1S/C13H21N3O/c1-13(9-17-10-13)8-15(2)7-12-14-5-6-16(12)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyWVSFGMARMNOBLI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds5

About 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine

1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 91829896) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID91829896
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCN(Cc1nccn1C1CC1)CC1(C)COC1
InChIInChI=1S/C13H21N3O/c1-13(9-17-10-13)8-15(2)7-12-14-5-6-16(12)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyWVSFGMARMNOBLI-UHFFFAOYSA-N
XLogP1.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 91829896) is 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine is CN(Cc1nccn1C1CC1)CC1(C)COC1.
What is the InChIKey of 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is WVSFGMARMNOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(9-17-10-13)8-15(2)7-12-14-5-6-16(12)11-3-4-11/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylimidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 91829896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).