2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine

C19H41N — CID 126602658

IUPAC2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine
SMILESCCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C19H41N/c1-12-16(4,5)13-18(8,9)20-19(10,11)14-17(6,7)15(2)3/h15,20H,12-14H2,1-11H3
InChIKeyFGABUTZDQNTUHI-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.03
Rot. Bonds8

About 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine

2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine (PubChem CID 126602658) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine
PubChem CID126602658
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine
SMILESCCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C19H41N/c1-12-16(4,5)13-18(8,9)20-19(10,11)14-17(6,7)15(2)3/h15,20H,12-14H2,1-11H3
InChIKeyFGABUTZDQNTUHI-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine?
The IUPAC name of 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine (CID 126602658) is 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine.
What is the SMILES notation for 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine?
The canonical SMILES for 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine is CCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine?
The InChIKey is FGABUTZDQNTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-12-16(4,5)13-18(8,9)20-19(10,11)14-17(6,7)15(2)3/h15,20H,12-14H2,1-11H3.
What are the key properties of 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine?
2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine has a molecular weight of 283.54 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine is sourced from PubChem (CID 126602658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).