N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine

C10H14N2O2 — CID 60888930

IUPACN'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccc2c1OCO2
InChIInChI=1S/C10H14N2O2/c11-4-5-12-6-8-2-1-3-9-10(8)14-7-13-9/h1-3,12H,4-7,11H2
InChIKeyQZDYJNFIVRVXEE-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.46
Rot. Bonds4

About N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine

N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 60888930) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
PubChem CID60888930
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccc2c1OCO2
InChIInChI=1S/C10H14N2O2/c11-4-5-12-6-8-2-1-3-9-10(8)14-7-13-9/h1-3,12H,4-7,11H2
InChIKeyQZDYJNFIVRVXEE-UHFFFAOYSA-N
XLogP0.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-3-methylbut-3-en-1-amine
CID 114472123
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
5-(1,3-benzodioxol-4-ylmethylamino)-2-methylpentan-1-ol
CID 103859505
N-(1,3-benzodioxol-4-ylmethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720806
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
N-(1,3-benzodioxol-4-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43583711
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
N-(1,3-benzodioxol-4-ylmethyl)-1-(furan-3-yl)methanamine
CID 60980403
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pentan-1-amine
CID 43583339
2-amino-3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid
CID 103243083

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine (CID 60888930) is N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine is NCCNCc1cccc2c1OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is QZDYJNFIVRVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-4-5-12-6-8-2-1-3-9-10(8)14-7-13-9/h1-3,12H,4-7,11H2.
What are the key properties of N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine?
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 194.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 60888930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).