N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C16H27N3 — CID 79319732

IUPACN,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCNCc1ccc(N(C)CC2CCCN2C)c(C)c1
InChIInChI=1S/C16H27N3/c1-13-10-14(11-17-2)7-8-16(13)19(4)12-15-6-5-9-18(15)3/h7-8,10,15,17H,5-6,9,11-12H2,1-4H3
InChIKeyDXRUIZOUAYBVIY-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.24
Rot. Bonds5

About N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79319732) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79319732
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCNCc1ccc(N(C)CC2CCCN2C)c(C)c1
InChIInChI=1S/C16H27N3/c1-13-10-14(11-17-2)7-8-16(13)19(4)12-15-6-5-9-18(15)3/h7-8,10,15,17H,5-6,9,11-12H2,1-4H3
InChIKeyDXRUIZOUAYBVIY-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
CID 79319977
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319992
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
methyl 3-amino-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoate
CID 79312975
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 79310953
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79312079
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312495

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79319732) is N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CNCc1ccc(N(C)CC2CCCN2C)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is DXRUIZOUAYBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-10-14(11-17-2)7-8-16(13)19(4)12-15-6-5-9-18(15)3/h7-8,10,15,17H,5-6,9,11-12H2,1-4H3.
What are the key properties of N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79319732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).