2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine

C16H28N2 — CID 79061588

IUPAC2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(C)cc1)N(C)C
InChIInChI=1S/C16H28N2/c1-7-16(8-2,18(5)6)15(17-4)14-11-9-13(3)10-12-14/h9-12,15,17H,7-8H2,1-6H3
InChIKeyPBGVDTRJXCBWFY-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds6

About 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine

2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine (PubChem CID 79061588) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
PubChem CID79061588
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(C)cc1)N(C)C
InChIInChI=1S/C16H28N2/c1-7-16(8-2,18(5)6)15(17-4)14-11-9-13(3)10-12-14/h9-12,15,17H,7-8H2,1-6H3
InChIKeyPBGVDTRJXCBWFY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
CID 79058618
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062006
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79060138
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 105395177

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine (CID 79061588) is 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine is CCC(CC)(C(NC)c1ccc(C)cc1)N(C)C.
What is the InChIKey of 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine?
The InChIKey is PBGVDTRJXCBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-16(8-2,18(5)6)15(17-4)14-11-9-13(3)10-12-14/h9-12,15,17H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine?
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 79061588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).