ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline

C23H35N3O — CID 142429980

IUPACethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline
SMILESCC.CCOC[C@]1(CN(C)c2ccccc2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C21H29N3O.C2H6/c1-3-25-18-21(16-23(2)20-9-5-4-6-10-20)11-13-24(17-21)15-19-8-7-12-22-14-19;1-2/h4-10,12,14H,3,11,13,15-18H2,1-2H3;1-2H3/t21-;/m0./s1
InChIKeyCBEOAQKBLDAEPP-BOXHHOBZSA-N
MW369.55 g/mol
LogP4.47
Rot. Bonds8

About ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline

ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline (PubChem CID 142429980) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Nameethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline
PubChem CID142429980
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Nameethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline
SMILESCC.CCOC[C@]1(CN(C)c2ccccc2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C21H29N3O.C2H6/c1-3-25-18-21(16-23(2)20-9-5-4-6-10-20)11-13-24(17-21)15-19-8-7-12-22-14-19;1-2/h4-10,12,14H,3,11,13,15-18H2,1-2H3;1-2H3/t21-;/m0./s1
InChIKeyCBEOAQKBLDAEPP-BOXHHOBZSA-N
XLogP4.47
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
4a-(ethoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155832725
3-methyl-7-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134794148
N,N-dimethyl-2-[2-(pyridin-3-ylmethyl)-2,6-diazaspiro[4.5]decan-6-yl]acetamide
CID 134070809
1-[7a-phenyl-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-2-ethoxyethanone
CID 134071620
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine
CID 172512555

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline?
The IUPAC name of ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline (CID 142429980) is ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline.
What is the SMILES notation for ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline?
The canonical SMILES for ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline is CC.CCOC[C@]1(CN(C)c2ccccc2)CCN(Cc2cccnc2)C1.
What is the InChIKey of ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline?
The InChIKey is CBEOAQKBLDAEPP-BOXHHOBZSA-N. The full InChI is InChI=1S/C21H29N3O.C2H6/c1-3-25-18-21(16-23(2)20-9-5-4-6-10-20)11-13-24(17-21)15-19-8-7-12-22-14-19;1-2/h4-10,12,14H,3,11,13,15-18H2,1-2H3;1-2H3/t21-;/m0./s1.
What are the key properties of ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline?
ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline has a molecular weight of 369.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline is sourced from PubChem (CID 142429980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).