2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine

C13H20N2O2 — CID 83005657

IUPAC2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine
SMILESCC(CCc1ccc2c(c1)OCO2)NN(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14-15(2)3)4-5-11-6-7-12-13(8-11)17-9-16-12/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyBYESQPADRVVPIV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine

2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine (PubChem CID 83005657) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine
PubChem CID83005657
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine
SMILESCC(CCc1ccc2c(c1)OCO2)NN(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14-15(2)3)4-5-11-6-7-12-13(8-11)17-9-16-12/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyBYESQPADRVVPIV-UHFFFAOYSA-N
XLogP1.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-5-methylhexan-2-amine
CID 43104414
4-(1,3-benzodioxol-5-yl)-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721747
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]pent-4-en-2-amine
CID 115890316
3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propan-1-ol
CID 43206537
2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propanoic acid
CID 61499320
3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-N,N-dimethylpropanamide
CID 60926380
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-2-fluoroaniline
CID 43194906
N'-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 119164692
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-methylcyclopentan-1-amine
CID 115714684
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]pent-4-yn-1-amine
CID 103786905
4-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 61348667
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]hex-5-yn-1-amine
CID 103903591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine (CID 83005657) is 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine is CC(CCc1ccc2c(c1)OCO2)NN(C)C.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine?
The InChIKey is BYESQPADRVVPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14-15(2)3)4-5-11-6-7-12-13(8-11)17-9-16-12/h6-8,10,14H,4-5,9H2,1-3H3.
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine?
2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine has a molecular weight of 236.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine is sourced from PubChem (CID 83005657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).