N,3-dimethyl-5-pyrrolidin-1-ylaniline

C12H18N2 — CID 69340936

IUPACN,3-dimethyl-5-pyrrolidin-1-ylaniline
SMILESCNc1cc(C)cc(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-10-7-11(13-2)9-12(8-10)14-5-3-4-6-14/h7-9,13H,3-6H2,1-2H3
InChIKeyPJHKLPCWQADOOI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.64
Rot. Bonds2

About N,3-dimethyl-5-pyrrolidin-1-ylaniline

N,3-dimethyl-5-pyrrolidin-1-ylaniline (PubChem CID 69340936) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,3-dimethyl-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN,3-dimethyl-5-pyrrolidin-1-ylaniline
PubChem CID69340936
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,3-dimethyl-5-pyrrolidin-1-ylaniline
SMILESCNc1cc(C)cc(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-10-7-11(13-2)9-12(8-10)14-5-3-4-6-14/h7-9,13H,3-6H2,1-2H3
InChIKeyPJHKLPCWQADOOI-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
CID 167273261
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
1-(3-methoxy-5-methylphenyl)pyrrolidine
CID 89202554
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
1-(3,5-dimethylphenyl)-3-methyl-1,4-diazocane
CID 117016333
3-bromo-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107582113
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
CID 115885020
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
1-(3,4,5-trifluorophenyl)pyrrolidine
CID 67937065
N-[3-methyl-5-(methylamino)phenyl]hydroxylamine
CID 143832434
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-pyrrolidin-1-ylaniline?
The IUPAC name of N,3-dimethyl-5-pyrrolidin-1-ylaniline (CID 69340936) is N,3-dimethyl-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for N,3-dimethyl-5-pyrrolidin-1-ylaniline?
The canonical SMILES for N,3-dimethyl-5-pyrrolidin-1-ylaniline is CNc1cc(C)cc(N2CCCC2)c1.
What is the InChIKey of N,3-dimethyl-5-pyrrolidin-1-ylaniline?
The InChIKey is PJHKLPCWQADOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-7-11(13-2)9-12(8-10)14-5-3-4-6-14/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N,3-dimethyl-5-pyrrolidin-1-ylaniline?
N,3-dimethyl-5-pyrrolidin-1-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 69340936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).