N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine

C21H27NO2 — CID 3731808

IUPACN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC(C1COC(C)(C)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(20-16-23-21(2,3)24-20)22(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3
InChIKeyXONASZPOJJSYAZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds6

About N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine

N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 3731808) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID3731808
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC(C1COC(C)(C)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO2/c1-17(20-16-23-21(2,3)24-20)22(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3
InChIKeyXONASZPOJJSYAZ-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
1-Benzyl-1-{[2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 5101318
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
(1R,2R,6R,10R)-8-benzhydryl-4,4,12,12-tetramethyl-3,5,11,13-tetraoxa-8-azatricyclo[8.3.0.02,6]tridecane
CID 10692883
(1R,2S)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-en-1-amine
CID 11616876
N-benzyl-N-[(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-enyl]-2,2,2-trifluoroacetamide
CID 134881147
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4,4-trifluoro-2-methylbut-2-en-1-amine
CID 135018026
3-Butoxy-1-[benzylpyrrolidinyl]propan-2-ol
CID 43842234
N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]hydroxylamine
CID 10516661
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3,6-dihydrooxazine
CID 10859717

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine (CID 3731808) is N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine is CC(C1COC(C)(C)O1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is XONASZPOJJSYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17(20-16-23-21(2,3)24-20)22(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3.
What are the key properties of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine?
N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 3731808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).