N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine

C15H26N2 — CID 106915935

IUPACN-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1c(C)cccc1C
InChIInChI=1S/C15H26N2/c1-12(9-16-4)10-17(5)11-15-13(2)7-6-8-14(15)3/h6-8,12,16H,9-11H2,1-5H3
InChIKeyMZCDQWQBHMQVHB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.59
Rot. Bonds6

About N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine

N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106915935) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106915935
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1c(C)cccc1C
InChIInChI=1S/C15H26N2/c1-12(9-16-4)10-17(5)11-15-13(2)7-6-8-14(15)3/h6-8,12,16H,9-11H2,1-5H3
InChIKeyMZCDQWQBHMQVHB-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 106915863
1-[(2,6-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 79006487
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
CID 171831646
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 62411635
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (CID 106915935) is N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine is CNCC(C)CN(C)Cc1c(C)cccc1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is MZCDQWQBHMQVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(9-16-4)10-17(5)11-15-13(2)7-6-8-14(15)3/h6-8,12,16H,9-11H2,1-5H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106915935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).