N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine

C12H22N4 — CID 69260242

IUPACN',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
SMILESCN(C)C(NCCc1cccnc1)N(C)C
InChIInChI=1S/C12H22N4/c1-15(2)12(16(3)4)14-9-7-11-6-5-8-13-10-11/h5-6,8,10,12,14H,7,9H2,1-4H3
InChIKeyKPPIDHMICUNNBD-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.62
Rot. Bonds6

About N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine

N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine (PubChem CID 69260242) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine.

Molecular Properties

Compound NameN',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
PubChem CID69260242
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
SMILESCN(C)C(NCCc1cccnc1)N(C)C
InChIInChI=1S/C12H22N4/c1-15(2)12(16(3)4)14-9-7-11-6-5-8-13-10-11/h5-6,8,10,12,14H,7,9H2,1-4H3
InChIKeyKPPIDHMICUNNBD-UHFFFAOYSA-N
XLogP0.62
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 103108441
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60971301
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60914787
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604

Frequently Asked Questions

What is the IUPAC name of N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine?
The IUPAC name of N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine (CID 69260242) is N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine.
What is the SMILES notation for N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine?
The canonical SMILES for N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine is CN(C)C(NCCc1cccnc1)N(C)C.
What is the InChIKey of N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine?
The InChIKey is KPPIDHMICUNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15(2)12(16(3)4)14-9-7-11-6-5-8-13-10-11/h5-6,8,10,12,14H,7,9H2,1-4H3.
What are the key properties of N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine?
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine has a molecular weight of 222.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine is sourced from PubChem (CID 69260242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).