2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine

C20H35N — CID 65308875

IUPAC2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C)c(CCC(C)(C)CNCC(C)C)c1C
InChIInChI=1S/C20H35N/c1-14(2)12-21-13-20(7,8)10-9-19-17(5)15(3)11-16(4)18(19)6/h11,14,21H,9-10,12-13H2,1-8H3
InChIKeyRFIXOHGDGAAWFL-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.12
Rot. Bonds7

About 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine (PubChem CID 65308875) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine
PubChem CID65308875
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C)c(CCC(C)(C)CNCC(C)C)c1C
InChIInChI=1S/C20H35N/c1-14(2)12-21-13-20(7,8)10-9-19-17(5)15(3)11-16(4)18(19)6/h11,14,21H,9-10,12-13H2,1-8H3
InChIKeyRFIXOHGDGAAWFL-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine (CID 65308875) is 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine is Cc1cc(C)c(C)c(CCC(C)(C)CNCC(C)C)c1C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The InChIKey is RFIXOHGDGAAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-14(2)12-21-13-20(7,8)10-9-19-17(5)15(3)11-16(4)18(19)6/h11,14,21H,9-10,12-13H2,1-8H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,3,5,6-tetramethylphenyl)butan-1-amine is sourced from PubChem (CID 65308875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).