N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline

C18H28N2O — CID 102562664

IUPACN,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
SMILESCC1CCC(CN2CCCC2c2cccc(N(C)C)c2)O1
InChIInChI=1S/C18H28N2O/c1-14-9-10-17(21-14)13-20-11-5-8-18(20)15-6-4-7-16(12-15)19(2)3/h4,6-7,12,14,17-18H,5,8-11,13H2,1-3H3
InChIKeyMGYBJHYLNKBLJD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.46
Rot. Bonds4

About N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline

N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline (PubChem CID 102562664) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
PubChem CID102562664
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
SMILESCC1CCC(CN2CCCC2c2cccc(N(C)C)c2)O1
InChIInChI=1S/C18H28N2O/c1-14-9-10-17(21-14)13-20-11-5-8-18(20)15-6-4-7-16(12-15)19(2)3/h4,6-7,12,14,17-18H,5,8-11,13H2,1-3H3
InChIKeyMGYBJHYLNKBLJD-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
CID 95901092
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71988900
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
(2S)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]butanamide
CID 129427222
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]methanone
CID 119889847
2-(4-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119889816
1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 97237633
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone
CID 119889839
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
CID 90164810

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline (CID 102562664) is N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline is CC1CCC(CN2CCCC2c2cccc(N(C)C)c2)O1.
What is the InChIKey of N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline?
The InChIKey is MGYBJHYLNKBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-9-10-17(21-14)13-20-11-5-8-18(20)15-6-4-7-16(12-15)19(2)3/h4,6-7,12,14,17-18H,5,8-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline?
N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline has a molecular weight of 288.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline is sourced from PubChem (CID 102562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).