N-(3,3-diphenylpropyl)octadecan-1-amine

C33H53N — CID 57060547

IUPACN-(3,3-diphenylpropyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-30-28-33(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27,33-34H,2-16,23,28-30H2,1H3
InChIKeyHRYRLDWNFZHJOR-UHFFFAOYSA-N
MW463.79 g/mol
LogP10.06
Rot. Bonds22

About N-(3,3-diphenylpropyl)octadecan-1-amine

N-(3,3-diphenylpropyl)octadecan-1-amine (PubChem CID 57060547) has the molecular formula C33H53N and a molecular weight of 463.79 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)octadecan-1-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)octadecan-1-amine
PubChem CID57060547
Molecular FormulaC33H53N
Molecular Weight463.79 g/mol
Exact Mass463.42
IUPAC NameN-(3,3-diphenylpropyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-30-28-33(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27,33-34H,2-16,23,28-30H2,1H3
InChIKeyHRYRLDWNFZHJOR-UHFFFAOYSA-N
XLogP10.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.79
LogP ≤ 510.06
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

N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
cumene;N-octadecyloctadecan-1-amine
CID 67656725
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-benzhydryldecan-1-amine
CID 57251579
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)octadecan-1-amine?
The IUPAC name of N-(3,3-diphenylpropyl)octadecan-1-amine (CID 57060547) is N-(3,3-diphenylpropyl)octadecan-1-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)octadecan-1-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)octadecan-1-amine?
The InChIKey is HRYRLDWNFZHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-30-28-33(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27,33-34H,2-16,23,28-30H2,1H3.
What are the key properties of N-(3,3-diphenylpropyl)octadecan-1-amine?
N-(3,3-diphenylpropyl)octadecan-1-amine has a molecular weight of 463.79 g/mol, XLogP of 10.06, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)octadecan-1-amine is sourced from PubChem (CID 57060547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).