2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine

C15H26N2 — CID 28798833

IUPAC2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H26N2/c1-5-15(6-2,12-16)17(4)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyRCBOZARKFVOKCY-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.94
Rot. Bonds6

About 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 28798833) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
PubChem CID28798833
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H26N2/c1-5-15(6-2,12-16)17(4)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyRCBOZARKFVOKCY-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62010595
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
CID 62698957
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
CID 62008652
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine (CID 28798833) is 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine is CCC(CC)(CN)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is RCBOZARKFVOKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(6-2,12-16)17(4)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 28798833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).