2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine

C14H24N2 — CID 115198487

IUPAC2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(CNCC(C)CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-10-5-12(3)14(13(4)6-10)9-16-8-11(2)7-15/h5-6,11,16H,7-9,15H2,1-4H3
InChIKeySKJAWUVYMIFNOH-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.30
Rot. Bonds5

About 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine

2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115198487) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
PubChem CID115198487
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(CNCC(C)CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-10-5-12(3)14(13(4)6-10)9-16-8-11(2)7-15/h5-6,11,16H,7-9,15H2,1-4H3
InChIKeySKJAWUVYMIFNOH-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (CID 115198487) is 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is Cc1cc(C)c(CNCC(C)CN)c(C)c1.
What is the InChIKey of 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is SKJAWUVYMIFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-5-12(3)14(13(4)6-10)9-16-8-11(2)7-15/h5-6,11,16H,7-9,15H2,1-4H3.
What are the key properties of 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115198487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).