N,N-dimethyl-4-(methylaminomethyl)aniline

C10H16N2 — CID 964742

IUPACN,N-dimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyDUIPUNLJRBPNMK-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.47
Rot. Bonds3

About N,N-dimethyl-4-(methylaminomethyl)aniline

N,N-dimethyl-4-(methylaminomethyl)aniline (PubChem CID 964742) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylaminomethyl)aniline
PubChem CID964742
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N-dimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyDUIPUNLJRBPNMK-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(methylaminomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylaminomethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(methylaminomethyl)aniline (CID 964742) is N,N-dimethyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(methylaminomethyl)aniline?
The InChIKey is DUIPUNLJRBPNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(methylaminomethyl)aniline?
N,N-dimethyl-4-(methylaminomethyl)aniline has a molecular weight of 164.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 964742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).