N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine

C15H26N2 — CID 115204284

IUPACN-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(N(C)CC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)17(5)11-15(3,4)8-9-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyREHWITNAOALBJJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine

N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204284) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204284
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(N(C)CC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)17(5)11-15(3,4)8-9-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyREHWITNAOALBJJ-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
CID 115204362
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
N,2,2-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204508
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 115204284) is N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine is Cc1ccc(C)c(N(C)CC(C)(C)CCN)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is REHWITNAOALBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)17(5)11-15(3,4)8-9-16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine?
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).