N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine

C14H19NO2 — CID 116963674

IUPACN-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
SMILESCNCC1(c2cc3c(cc2C)OCO3)CCC1
InChIInChI=1S/C14H19NO2/c1-10-6-12-13(17-9-16-12)7-11(10)14(8-15-2)4-3-5-14/h6-7,15H,3-5,8-9H2,1-2H3
InChIKeyGFBHXPREFUYWNN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine

N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine (PubChem CID 116963674) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
PubChem CID116963674
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
SMILESCNCC1(c2cc3c(cc2C)OCO3)CCC1
InChIInChI=1S/C14H19NO2/c1-10-6-12-13(17-9-16-12)7-11(10)14(8-15-2)4-3-5-14/h6-7,15H,3-5,8-9H2,1-2H3
InChIKeyGFBHXPREFUYWNN-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
CID 82471973
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
methyl 1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutane-1-carboxylate
CID 116963940
5-(1-isocyanatocyclobutyl)-6-methyl-1,3-benzodioxole
CID 117333938
[1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentyl]methanamine
CID 117467743
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
N-methyl-N'-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 115197882
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
CID 82475681
3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine (CID 116963674) is N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine is CNCC1(c2cc3c(cc2C)OCO3)CCC1.
What is the InChIKey of N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine?
The InChIKey is GFBHXPREFUYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-12-13(17-9-16-12)7-11(10)14(8-15-2)4-3-5-14/h6-7,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine?
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).