2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine

C45H77N — CID 159816423

IUPAC2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine
SMILESCCCCCCCCCCCCCCN(C(C)(C)c1ccccc1)C(C)(CCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C45H77N/c1-6-8-10-12-14-16-18-20-22-24-26-34-40-45(5,43-38-32-29-33-39-43)46(44(3,4)42-36-30-28-31-37-42)41-35-27-25-23-21-19-17-15-13-11-9-7-2/h28-33,36-39H,6-27,34-35,40-41H2,1-5H3
InChIKeyNLRFKLPGRCGOSO-UHFFFAOYSA-N
MW632.12 g/mol
LogP14.93
Rot. Bonds30

About 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine

2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine (PubChem CID 159816423) has the molecular formula C45H77N and a molecular weight of 632.12 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine
PubChem CID159816423
Molecular FormulaC45H77N
Molecular Weight632.12 g/mol
Exact Mass631.61
IUPAC Name2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine
SMILESCCCCCCCCCCCCCCN(C(C)(C)c1ccccc1)C(C)(CCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C45H77N/c1-6-8-10-12-14-16-18-20-22-24-26-34-40-45(5,43-38-32-29-33-39-43)46(44(3,4)42-36-30-28-31-37-42)41-35-27-25-23-21-19-17-15-13-11-9-7-2/h28-33,36-39H,6-27,34-35,40-41H2,1-5H3
InChIKeyNLRFKLPGRCGOSO-UHFFFAOYSA-N
XLogP14.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.12
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine?
The IUPAC name of 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine (CID 159816423) is 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine.
What is the SMILES notation for 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine?
The canonical SMILES for 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine is CCCCCCCCCCCCCCN(C(C)(C)c1ccccc1)C(C)(CCCCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine?
The InChIKey is NLRFKLPGRCGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H77N/c1-6-8-10-12-14-16-18-20-22-24-26-34-40-45(5,43-38-32-29-33-39-43)46(44(3,4)42-36-30-28-31-37-42)41-35-27-25-23-21-19-17-15-13-11-9-7-2/h28-33,36-39H,6-27,34-35,40-41H2,1-5H3.
What are the key properties of 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine?
2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine has a molecular weight of 632.12 g/mol, XLogP of 14.93, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenylpropan-2-yl)-N-tetradecylhexadecan-2-amine is sourced from PubChem (CID 159816423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).