N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine

C12H15NO2 — CID 164539583

IUPACN-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
SMILESc1cc(NCC2CCC2)c2c(c1)OCO2
InChIInChI=1S/C12H15NO2/c1-3-9(4-1)7-13-10-5-2-6-11-12(10)15-8-14-11/h2,5-6,9,13H,1,3-4,7-8H2
InChIKeyPMOWXMPPHWKBGO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.63
Rot. Bonds3

About N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine

N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine (PubChem CID 164539583) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
PubChem CID164539583
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
SMILESc1cc(NCC2CCC2)c2c(c1)OCO2
InChIInChI=1S/C12H15NO2/c1-3-9(4-1)7-13-10-5-2-6-11-12(10)15-8-14-11/h2,5-6,9,13H,1,3-4,7-8H2
InChIKeyPMOWXMPPHWKBGO-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,3-benzodioxol-4-amine
CID 55252977
N-(cyclobutylmethyl)-2,3-dimethylaniline
CID 65458031
2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
CID 87397533
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
CID 171920461
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
4-N-(cyclopropylmethyl)-2-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175181697
N-(2,3,4-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920112
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine (CID 164539583) is N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine is c1cc(NCC2CCC2)c2c(c1)OCO2.
What is the InChIKey of N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine?
The InChIKey is PMOWXMPPHWKBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9(4-1)7-13-10-5-2-6-11-12(10)15-8-14-11/h2,5-6,9,13H,1,3-4,7-8H2.
What are the key properties of N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine?
N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine has a molecular weight of 205.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine is sourced from PubChem (CID 164539583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).