2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine

C15H26N2 — CID 62463216

IUPAC2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H26N2/c1-6-14(11-16-7-2)17(5)15-9-12(3)8-13(4)10-15/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyQHVFXHCUFWNYTK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.13
Rot. Bonds6

About 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine

2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 62463216) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID62463216
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H26N2/c1-6-14(11-16-7-2)17(5)15-9-12(3)8-13(4)10-15/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyQHVFXHCUFWNYTK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine (CID 62463216) is 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine is CCNCC(CC)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is QHVFXHCUFWNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-14(11-16-7-2)17(5)15-9-12(3)8-13(4)10-15/h8-10,14,16H,6-7,11H2,1-5H3.
What are the key properties of 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine?
2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62463216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).