N'-[(2,3,4-trimethylphenyl)methyl]methanediamine

C11H18N2 — CID 115225803

IUPACN'-[(2,3,4-trimethylphenyl)methyl]methanediamine
SMILESCc1ccc(CNCN)c(C)c1C
InChIInChI=1S/C11H18N2/c1-8-4-5-11(6-13-7-12)10(3)9(8)2/h4-5,13H,6-7,12H2,1-3H3
InChIKeyZSEILBFZEXFSJF-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.62
Rot. Bonds3

About N'-[(2,3,4-trimethylphenyl)methyl]methanediamine

N'-[(2,3,4-trimethylphenyl)methyl]methanediamine (PubChem CID 115225803) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-[(2,3,4-trimethylphenyl)methyl]methanediamine.

Molecular Properties

Compound NameN'-[(2,3,4-trimethylphenyl)methyl]methanediamine
PubChem CID115225803
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-[(2,3,4-trimethylphenyl)methyl]methanediamine
SMILESCc1ccc(CNCN)c(C)c1C
InChIInChI=1S/C11H18N2/c1-8-4-5-11(6-13-7-12)10(3)9(8)2/h4-5,13H,6-7,12H2,1-3H3
InChIKeyZSEILBFZEXFSJF-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
CID 115121441
2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252515
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine
CID 67714257
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3,4-trimethylphenyl)methyl]methanediamine?
The IUPAC name of N'-[(2,3,4-trimethylphenyl)methyl]methanediamine (CID 115225803) is N'-[(2,3,4-trimethylphenyl)methyl]methanediamine.
What is the SMILES notation for N'-[(2,3,4-trimethylphenyl)methyl]methanediamine?
The canonical SMILES for N'-[(2,3,4-trimethylphenyl)methyl]methanediamine is Cc1ccc(CNCN)c(C)c1C.
What is the InChIKey of N'-[(2,3,4-trimethylphenyl)methyl]methanediamine?
The InChIKey is ZSEILBFZEXFSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-4-5-11(6-13-7-12)10(3)9(8)2/h4-5,13H,6-7,12H2,1-3H3.
What are the key properties of N'-[(2,3,4-trimethylphenyl)methyl]methanediamine?
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine has a molecular weight of 178.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,4-trimethylphenyl)methyl]methanediamine is sourced from PubChem (CID 115225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).