N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine

C19H24N2O3 — CID 46984773

IUPACN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1cccnc1)Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C19H24N2O3/c1-4-14(2)21(11-15-6-5-7-20-10-15)12-16-8-18-19(24-13-23-18)9-17(16)22-3/h5-10,14H,4,11-13H2,1-3H3
InChIKeyLOEDDUMVPXFOAZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.62
Rot. Bonds7

About N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine

N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine (PubChem CID 46984773) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
PubChem CID46984773
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1cccnc1)Cc1cc2c(cc1OC)OCO2
InChIInChI=1S/C19H24N2O3/c1-4-14(2)21(11-15-6-5-7-20-10-15)12-16-8-18-19(24-13-23-18)9-17(16)22-3/h5-10,14H,4,11-13H2,1-3H3
InChIKeyLOEDDUMVPXFOAZ-UHFFFAOYSA-N
XLogP3.62
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The IUPAC name of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine (CID 46984773) is N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine is CCC(C)N(Cc1cccnc1)Cc1cc2c(cc1OC)OCO2.
What is the InChIKey of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
The InChIKey is LOEDDUMVPXFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-14(2)21(11-15-6-5-7-20-10-15)12-16-8-18-19(24-13-23-18)9-17(16)22-3/h5-10,14H,4,11-13H2,1-3H3.
What are the key properties of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine?
N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine has a molecular weight of 328.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 46984773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).