1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine

C12H15NO2 — CID 117293533

IUPAC1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1cc2c(cc1CC1(N)CC1)OCO2
InChIInChI=1S/C12H15NO2/c1-8-4-10-11(15-7-14-10)5-9(8)6-12(13)2-3-12/h4-5H,2-3,6-7,13H2,1H3
InChIKeySTMZEIWVBJODEK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds2

About 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine

1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117293533) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
PubChem CID117293533
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1cc2c(cc1CC1(N)CC1)OCO2
InChIInChI=1S/C12H15NO2/c1-8-4-10-11(15-7-14-10)5-9(8)6-12(13)2-3-12/h4-5H,2-3,6-7,13H2,1H3
InChIKeySTMZEIWVBJODEK-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]oxetane-3-carbonitrile
CID 116930037
1-[(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]cyclopropan-1-amine
CID 117371333
1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine
CID 117292093
3,3-dimethyl-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116925179
1-[(4-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117324424
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117312717
1-[(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)methyl]cyclopropan-1-amine
CID 117448914
N-(bromomethyl)-N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanamine
CID 115262135
3-(6-methyl-1,3-benzodioxol-5-yl)propanenitrile
CID 116927389
N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 170865570

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine (CID 117293533) is 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine is Cc1cc2c(cc1CC1(N)CC1)OCO2.
What is the InChIKey of 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is STMZEIWVBJODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-10-11(15-7-14-10)5-9(8)6-12(13)2-3-12/h4-5H,2-3,6-7,13H2,1H3.
What are the key properties of 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine?
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).