5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine

C18H23N3O2 — CID 119047871

IUPAC5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(C)c1ccc(CNCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)21(3)18-7-5-15(11-20-18)10-19-9-14-4-6-16-17(8-14)23-12-22-16/h4-8,11,13,19H,9-10,12H2,1-3H3
InChIKeyBBQAXFYVHSMTNY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds6

About 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine

5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 119047871) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID119047871
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(C)c1ccc(CNCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)21(3)18-7-5-15(11-20-18)10-19-9-14-4-6-16-17(8-14)23-12-22-16/h4-8,11,13,19H,9-10,12H2,1-3H3
InChIKeyBBQAXFYVHSMTNY-UHFFFAOYSA-N
XLogP2.94
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 102535994
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
CID 67559257
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
CID 56808745
1-N-(1,3-benzodioxol-5-ylmethyl)-3-methylbutane-1,2-diamine
CID 83960574
3-(1,3-benzodioxol-5-ylmethylamino)-2-methylpropan-1-ol
CID 65034367
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
CID 738604
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine (CID 119047871) is 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine is CC(C)N(C)c1ccc(CNCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is BBQAXFYVHSMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)21(3)18-7-5-15(11-20-18)10-19-9-14-4-6-16-17(8-14)23-12-22-16/h4-8,11,13,19H,9-10,12H2,1-3H3.
What are the key properties of 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine?
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 119047871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).