2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

C16H28N2 — CID 62010595

IUPAC2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-16(7-2,12-17)18(5)11-15-9-8-13(3)14(4)10-15/h8-10H,6-7,11-12,17H2,1-5H3
InChIKeyATLZJRQGYMTMOI-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.25
Rot. Bonds6

About 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 62010595) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID62010595
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-16(7-2,12-17)18(5)11-15-9-8-13(3)14(4)10-15/h8-10H,6-7,11-12,17H2,1-5H3
InChIKeyATLZJRQGYMTMOI-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (CID 62010595) is 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is ATLZJRQGYMTMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-16(7-2,12-17)18(5)11-15-9-8-13(3)14(4)10-15/h8-10H,6-7,11-12,17H2,1-5H3.
What are the key properties of 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62010595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).