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

C14H24N2 — CID 62543775

IUPACN'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(CN(C)CCCN)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-8-12(2)14(13(3)9-11)10-16(4)7-5-6-15/h8-9H,5-7,10,15H2,1-4H3
InChIKeyNMRXMDIFNAOZBD-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.39
Rot. Bonds5

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

N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 62543775) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
PubChem CID62543775
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(CN(C)CCCN)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-8-12(2)14(13(3)9-11)10-16(4)7-5-6-15/h8-9H,5-7,10,15H2,1-4H3
InChIKeyNMRXMDIFNAOZBD-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 114242589
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N'-cyclopropyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62544891
N'-methyl-N'-[(2,4,5-trifluorophenyl)methyl]propane-1,3-diamine
CID 104869635
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (CID 62543775) is N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is Cc1cc(C)c(CN(C)CCCN)c(C)c1.
What is the InChIKey of N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is NMRXMDIFNAOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-8-12(2)14(13(3)9-11)10-16(4)7-5-6-15/h8-9H,5-7,10,15H2,1-4H3.
What are the key properties of N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62543775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).