2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H25N5O2 — CID 133433174

IUPAC2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-6-23(10-13-7-8-14-15(9-13)25-11-24-14)18-20-16(12(2)3)19-17(21-18)22(4)5/h7-9,12H,6,10-11H2,1-5H3
InChIKeyMMORYOUFDFAEBY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.82
Rot. Bonds6

About 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133433174) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133433174
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-6-23(10-13-7-8-14-15(9-13)25-11-24-14)18-20-16(12(2)3)19-17(21-18)22(4)5/h7-9,12H,6,10-11H2,1-5H3
InChIKeyMMORYOUFDFAEBY-UHFFFAOYSA-N
XLogP2.82
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-en-1-amine
CID 53412236
4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944491
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 117089564
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62905602
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylethanesulfonamide
CID 61361658
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133433174) is 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(Cc1ccc2c(c1)OCO2)c1nc(C(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MMORYOUFDFAEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-6-23(10-13-7-8-14-15(9-13)25-11-24-14)18-20-16(12(2)3)19-17(21-18)22(4)5/h7-9,12H,6,10-11H2,1-5H3.
What are the key properties of 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 343.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-ylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133433174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).