2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine

C24H36N2 — CID 170108251

IUPAC2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine
SMILESCc1cccc(C)c1N(C)C(C)(C)C(C)(C)N(C)c1c(C)cccc1C
InChIInChI=1S/C24H36N2/c1-17-13-11-14-18(2)21(17)25(9)23(5,6)24(7,8)26(10)22-19(3)15-12-16-20(22)4/h11-16H,1-10H3
InChIKeyYSVUPRHFFARTJC-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.05
Rot. Bonds5

About 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine

2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine (PubChem CID 170108251) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine
PubChem CID170108251
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine
SMILESCc1cccc(C)c1N(C)C(C)(C)C(C)(C)N(C)c1c(C)cccc1C
InChIInChI=1S/C24H36N2/c1-17-13-11-14-18(2)21(17)25(9)23(5,6)24(7,8)26(10)22-19(3)15-12-16-20(22)4/h11-16H,1-10H3
InChIKeyYSVUPRHFFARTJC-UHFFFAOYSA-N
XLogP6.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88869874

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine (CID 170108251) is 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine is Cc1cccc(C)c1N(C)C(C)(C)C(C)(C)N(C)c1c(C)cccc1C.
What is the InChIKey of 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine?
The InChIKey is YSVUPRHFFARTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-17-13-11-14-18(2)21(17)25(9)23(5,6)24(7,8)26(10)22-19(3)15-12-16-20(22)4/h11-16H,1-10H3.
What are the key properties of 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine?
2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine has a molecular weight of 352.57 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine is sourced from PubChem (CID 170108251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).