16-phenyl-14-(2-phenylethyl)hexadecan-1-amine

C30H47N — CID 139723789

IUPAC16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
SMILESNCCCCCCCCCCCCCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C30H47N/c31-27-17-9-7-5-3-1-2-4-6-8-12-22-30(25-23-28-18-13-10-14-19-28)26-24-29-20-15-11-16-21-29/h10-11,13-16,18-21,30H,1-9,12,17,22-27,31H2
InChIKeyAGAPSSYEPMCEAI-UHFFFAOYSA-N
MW421.71 g/mol
LogP8.51
Rot. Bonds19

About 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine

16-phenyl-14-(2-phenylethyl)hexadecan-1-amine (PubChem CID 139723789) has the molecular formula C30H47N and a molecular weight of 421.71 g/mol. Its IUPAC name is 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine.

Molecular Properties

Compound Name16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
PubChem CID139723789
Molecular FormulaC30H47N
Molecular Weight421.71 g/mol
Exact Mass421.37
IUPAC Name16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
SMILESNCCCCCCCCCCCCCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C30H47N/c31-27-17-9-7-5-3-1-2-4-6-8-12-22-30(25-23-28-18-13-10-14-19-28)26-24-29-20-15-11-16-21-29/h10-11,13-16,18-21,30H,1-9,12,17,22-27,31H2
InChIKeyAGAPSSYEPMCEAI-UHFFFAOYSA-N
XLogP8.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19801439
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7-phenylheptane-1,4-diamine
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3-ethylundecylbenzene
CID 101046196
benzene;3-phenylpropan-1-amine
CID 174865683
ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
CID 145359006
(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoic acid
CID 71314526
5-phenylpentane-1,3-diamine
CID 68702978
3-phenylpropan-1-amine;propane
CID 70273467
3-prop-2-enylnonadecylbenzene
CID 173349260
[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
CID 564248

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine?
The IUPAC name of 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine (CID 139723789) is 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine.
What is the SMILES notation for 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine?
The canonical SMILES for 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine is NCCCCCCCCCCCCCC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine?
The InChIKey is AGAPSSYEPMCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N/c31-27-17-9-7-5-3-1-2-4-6-8-12-22-30(25-23-28-18-13-10-14-19-28)26-24-29-20-15-11-16-21-29/h10-11,13-16,18-21,30H,1-9,12,17,22-27,31H2.
What are the key properties of 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine?
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine has a molecular weight of 421.71 g/mol, XLogP of 8.51, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-14-(2-phenylethyl)hexadecan-1-amine is sourced from PubChem (CID 139723789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).