19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine

C34H51N — CID 139723729

IUPAC19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
SMILESNCCCCCCCCCCCCCCCC(CC=Cc1ccccc1)CC=Cc1ccccc1
InChIInChI=1S/C34H51N/c35-31-19-11-9-7-5-3-1-2-4-6-8-10-14-22-34(29-20-27-32-23-15-12-16-24-32)30-21-28-33-25-17-13-18-26-33/h12-13,15-18,20-21,23-28,34H,1-11,14,19,22,29-31,35H2
InChIKeyLSGWKQSFEFBFKJ-UHFFFAOYSA-N
MW473.79 g/mol
LogP10.23
Rot. Bonds21

About 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine

19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine (PubChem CID 139723729) has the molecular formula C34H51N and a molecular weight of 473.79 g/mol. Its IUPAC name is 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine.

Molecular Properties

Compound Name19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
PubChem CID139723729
Molecular FormulaC34H51N
Molecular Weight473.79 g/mol
Exact Mass473.40
IUPAC Name19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
SMILESNCCCCCCCCCCCCCCCC(CC=Cc1ccccc1)CC=Cc1ccccc1
InChIInChI=1S/C34H51N/c35-31-19-11-9-7-5-3-1-2-4-6-8-10-14-22-34(29-20-27-32-23-15-12-16-24-32)30-21-28-33-25-17-13-18-26-33/h12-13,15-18,20-21,23-28,34H,1-11,14,19,22,29-31,35H2
InChIKeyLSGWKQSFEFBFKJ-UHFFFAOYSA-N
XLogP10.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 510.23
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

6-amino-2-[(E)-3-phenylprop-2-enyl]hexanoic acid
CID 104681542
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CID 104681285
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
6-phenyl-4-(2-phenylethenyl)hex-5-en-1-amine
CID 139723158
(E)-5-phenylpent-4-en-2-amine
CID 55254237
N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
4-chloropent-1-enylbenzene
CID 66808272
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
(E)-9-amino-1-phenylnon-1-en-3-one
CID 140555712

Frequently Asked Questions

What is the IUPAC name of 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine?
The IUPAC name of 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine (CID 139723729) is 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine.
What is the SMILES notation for 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine?
The canonical SMILES for 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine is NCCCCCCCCCCCCCCCC(CC=Cc1ccccc1)CC=Cc1ccccc1.
What is the InChIKey of 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine?
The InChIKey is LSGWKQSFEFBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N/c35-31-19-11-9-7-5-3-1-2-4-6-8-10-14-22-34(29-20-27-32-23-15-12-16-24-32)30-21-28-33-25-17-13-18-26-33/h12-13,15-18,20-21,23-28,34H,1-11,14,19,22,29-31,35H2.
What are the key properties of 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine?
19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine has a molecular weight of 473.79 g/mol, XLogP of 10.23, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine is sourced from PubChem (CID 139723729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).