1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine

C16H28N2 — CID 116949152

IUPAC1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-10-8-11(2)13(4)15(12(10)3)14(18-7)9-16(5,6)17/h8,14,18H,9,17H2,1-7H3
InChIKeyFUXVBDVSPNJCHV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.31
Rot. Bonds4

About 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine

1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine (PubChem CID 116949152) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
PubChem CID116949152
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-10-8-11(2)13(4)15(12(10)3)14(18-7)9-16(5,6)17/h8,14,18H,9,17H2,1-7H3
InChIKeyFUXVBDVSPNJCHV-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine (CID 116949152) is 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine is CNC(CC(C)(C)N)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The InChIKey is FUXVBDVSPNJCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-10-8-11(2)13(4)15(12(10)3)14(18-7)9-16(5,6)17/h8,14,18H,9,17H2,1-7H3.
What are the key properties of 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116949152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).