2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline

C16H25N3 — CID 106760054

IUPAC2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C16H25N3/c1-18(2)15-5-3-4-6-16(15)19-10-9-13(12-19)11-17-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyAFCHDIRJNQHPJP-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline

2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline (PubChem CID 106760054) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
PubChem CID106760054
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C16H25N3/c1-18(2)15-5-3-4-6-16(15)19-10-9-13(12-19)11-17-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyAFCHDIRJNQHPJP-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(dimethylamino)phenyl]pyrrolidin-3-yl]methanol
CID 106760827
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512722
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081197
N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513515
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513359

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline (CID 106760054) is 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline is CN(C)c1ccccc1N1CCC(CNC2CC2)C1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline?
The InChIKey is AFCHDIRJNQHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)15-5-3-4-6-16(15)19-10-9-13(12-19)11-17-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3.
What are the key properties of 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline?
2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline has a molecular weight of 259.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 106760054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).