2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine

C27H41N — CID 130356405

IUPAC2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine
SMILESCCCCC(C)(C)CC(C)(c1ccccc1)C(C)(CN)C(C)c1ccccc1
InChIInChI=1S/C27H41N/c1-7-8-19-25(3,4)20-26(5,24-17-13-10-14-18-24)27(6,21-28)22(2)23-15-11-9-12-16-23/h9-18,22H,7-8,19-21,28H2,1-6H3
InChIKeyADCOMTSFYOYZDG-UHFFFAOYSA-N
MW379.63 g/mol
LogP7.32
Rot. Bonds10

About 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine

2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine (PubChem CID 130356405) has the molecular formula C27H41N and a molecular weight of 379.63 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine
PubChem CID130356405
Molecular FormulaC27H41N
Molecular Weight379.63 g/mol
Exact Mass379.32
IUPAC Name2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine
SMILESCCCCC(C)(C)CC(C)(c1ccccc1)C(C)(CN)C(C)c1ccccc1
InChIInChI=1S/C27H41N/c1-7-8-19-25(3,4)20-26(5,24-17-13-10-14-18-24)27(6,21-28)22(2)23-15-11-9-12-16-23/h9-18,22H,7-8,19-21,28H2,1-6H3
InChIKeyADCOMTSFYOYZDG-UHFFFAOYSA-N
XLogP7.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine?
The IUPAC name of 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine (CID 130356405) is 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine.
What is the SMILES notation for 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine?
The canonical SMILES for 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine is CCCCC(C)(C)CC(C)(c1ccccc1)C(C)(CN)C(C)c1ccccc1.
What is the InChIKey of 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine?
The InChIKey is ADCOMTSFYOYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N/c1-7-8-19-25(3,4)20-26(5,24-17-13-10-14-18-24)27(6,21-28)22(2)23-15-11-9-12-16-23/h9-18,22H,7-8,19-21,28H2,1-6H3.
What are the key properties of 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine?
2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine has a molecular weight of 379.63 g/mol, XLogP of 7.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine is sourced from PubChem (CID 130356405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).