N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine

C14H24N2 — CID 115227446

IUPACN'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCNCNCC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C14H24N2/c1-11-6-7-12(2)13(8-11)14(3,4)9-16-10-15-5/h6-8,15-16H,9-10H2,1-5H3
InChIKeyXKVPTRANVBCFBK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.35
Rot. Bonds5

About N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine

N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine (PubChem CID 115227446) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
PubChem CID115227446
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCNCNCC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C14H24N2/c1-11-6-7-12(2)13(8-11)14(3,4)9-16-10-15-5/h6-8,15-16H,9-10H2,1-5H3
InChIKeyXKVPTRANVBCFBK-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine (CID 115227446) is N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine is CNCNCC(C)(C)c1cc(C)ccc1C.
What is the InChIKey of N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The InChIKey is XKVPTRANVBCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-7-12(2)13(8-11)14(3,4)9-16-10-15-5/h6-8,15-16H,9-10H2,1-5H3.
What are the key properties of N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine?
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine has a molecular weight of 220.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine is sourced from PubChem (CID 115227446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).