N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine

C17H25NO3 — CID 82765208

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc3c2OCO3)CCO1
InChIInChI=1S/C17H25NO3/c1-3-17(4-2)10-14(8-9-21-17)18-11-13-6-5-7-15-16(13)20-12-19-15/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKeyRXPGXMMPLXNQDX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.24
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine

N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine (PubChem CID 82765208) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
PubChem CID82765208
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc3c2OCO3)CCO1
InChIInChI=1S/C17H25NO3/c1-3-17(4-2)10-14(8-9-21-17)18-11-13-6-5-7-15-16(13)20-12-19-15/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKeyRXPGXMMPLXNQDX-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644
N-(1,3-benzodioxol-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958341
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine (CID 82765208) is N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCc2cccc3c2OCO3)CCO1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine?
The InChIKey is RXPGXMMPLXNQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-17(4-2)10-14(8-9-21-17)18-11-13-6-5-7-15-16(13)20-12-19-15/h5-7,14,18H,3-4,8-12H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine?
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine has a molecular weight of 291.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 82765208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).