N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C13H23N3 — CID 115261264

IUPACN-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCN(C)CNN)c(C)c1
InChIInChI=1S/C13H23N3/c1-10-7-11(2)13(12(3)8-10)5-6-16(4)9-15-14/h7-8,15H,5-6,9,14H2,1-4H3
InChIKeyPTCQLSXXQOTIFS-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.51
Rot. Bonds5

About N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115261264) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115261264
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCN(C)CNN)c(C)c1
InChIInChI=1S/C13H23N3/c1-10-7-11(2)13(12(3)8-10)5-6-16(4)9-15-14/h7-8,15H,5-6,9,14H2,1-4H3
InChIKeyPTCQLSXXQOTIFS-UHFFFAOYSA-N
XLogP1.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine 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

1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 117044147
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
2-butyl-1,3,5-trimethylbenzene
CID 527298
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 115261264) is N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CCN(C)CNN)c(C)c1.
What is the InChIKey of N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is PTCQLSXXQOTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-7-11(2)13(12(3)8-10)5-6-16(4)9-15-14/h7-8,15H,5-6,9,14H2,1-4H3.
What are the key properties of N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115261264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).