N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C16H28N2 — CID 43176157

IUPACN-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-6-7-8-18(5)15(11-17)16-13(3)9-12(2)10-14(16)4/h9-10,15H,6-8,11,17H2,1-5H3
InChIKeyPJRBOMIEMXWUNG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.34
Rot. Bonds6

About N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 43176157) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID43176157
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-6-7-8-18(5)15(11-17)16-13(3)9-12(2)10-14(16)4/h9-10,15H,6-8,11,17H2,1-5H3
InChIKeyPJRBOMIEMXWUNG-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 43176157) is N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCCCN(C)C(CN)c1c(C)cc(C)cc1C.
What is the InChIKey of N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is PJRBOMIEMXWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-7-8-18(5)15(11-17)16-13(3)9-12(2)10-14(16)4/h9-10,15H,6-8,11,17H2,1-5H3.
What are the key properties of N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43176157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).