1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine

C15H26N2 — CID 66452350

IUPAC1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCc1ccc(N(C)CC(C)(C)C(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-7-8-14(12(2)9-11)17(6)10-15(4,5)13(3)16/h7-9,13H,10,16H2,1-6H3
InChIKeyLKMDPICJRXWWNY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds4

About 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine

1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine (PubChem CID 66452350) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
PubChem CID66452350
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCc1ccc(N(C)CC(C)(C)C(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-7-8-14(12(2)9-11)17(6)10-15(4,5)13(3)16/h7-9,13H,10,16H2,1-6H3
InChIKeyLKMDPICJRXWWNY-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
1-N-(3,5-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453644
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
propan-2-yl 2-(N,2,4-trimethylanilino)acetate
CID 60967713
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944
3,3,3-trifluoro-2-[(N,2,4-trimethylanilino)methyl]propanethioamide
CID 103368674

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine (CID 66452350) is 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine is Cc1ccc(N(C)CC(C)(C)C(C)N)c(C)c1.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The InChIKey is LKMDPICJRXWWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-7-8-14(12(2)9-11)17(6)10-15(4,5)13(3)16/h7-9,13H,10,16H2,1-6H3.
What are the key properties of 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 66452350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).