[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine

C13H17NO2 — CID 117312500

IUPAC[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESCC1(C)Oc2ccc(C3(CN)CC3)cc2O1
InChIInChI=1S/C13H17NO2/c1-12(2)15-10-4-3-9(7-11(10)16-12)13(8-14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyDCIARZMZUANJHK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.18
Rot. Bonds2

About [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine

[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine (PubChem CID 117312500) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
PubChem CID117312500
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESCC1(C)Oc2ccc(C3(CN)CC3)cc2O1
InChIInChI=1S/C13H17NO2/c1-12(2)15-10-4-3-9(7-11(10)16-12)13(8-14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyDCIARZMZUANJHK-UHFFFAOYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
CID 117402987
6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 117405165
[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452645
[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
CID 116989014
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
6-[1-(aminomethyl)cyclobutyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 117438709
7-[1-(aminomethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994640
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
CID 117281667
[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
CID 95479252
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine (CID 117312500) is [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine is CC1(C)Oc2ccc(C3(CN)CC3)cc2O1.
What is the InChIKey of [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The InChIKey is DCIARZMZUANJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-12(2)15-10-4-3-9(7-11(10)16-12)13(8-14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine has a molecular weight of 219.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117312500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).