N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine

C14H24N2 — CID 115226401

IUPACN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
SMILESCc1cc(C)c(C(C)(C)CNCN)cc1C
InChIInChI=1S/C14H24N2/c1-10-6-12(3)13(7-11(10)2)14(4,5)8-16-9-15/h6-7,16H,8-9,15H2,1-5H3
InChIKeyWGBLPGRFLHEQKG-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.40
Rot. Bonds4

About N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine

N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine (PubChem CID 115226401) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
PubChem CID115226401
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
SMILESCc1cc(C)c(C(C)(C)CNCN)cc1C
InChIInChI=1S/C14H24N2/c1-10-6-12(3)13(7-11(10)2)14(4,5)8-16-9-15/h6-7,16H,8-9,15H2,1-5H3
InChIKeyWGBLPGRFLHEQKG-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.40
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

N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine?
The IUPAC name of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine (CID 115226401) is N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine.
What is the SMILES notation for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine?
The canonical SMILES for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine is Cc1cc(C)c(C(C)(C)CNCN)cc1C.
What is the InChIKey of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine?
The InChIKey is WGBLPGRFLHEQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-6-12(3)13(7-11(10)2)14(4,5)8-16-9-15/h6-7,16H,8-9,15H2,1-5H3.
What are the key properties of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine?
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine has a molecular weight of 220.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine is sourced from PubChem (CID 115226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).