11-phenyl-N-undecylundecan-1-amine

C28H51N — CID 175593224

IUPAC11-phenyl-N-undecylundecan-1-amine
SMILESCCCCCCCCCCCNCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C28H51N/c1-2-3-4-5-6-9-12-15-21-26-29-27-22-16-13-10-7-8-11-14-18-23-28-24-19-17-20-25-28/h17,19-20,24-25,29H,2-16,18,21-23,26-27H2,1H3
InChIKeyCZQPAIUFUBOIDN-UHFFFAOYSA-N
MW401.72 g/mol
LogP8.86
Rot. Bonds22

About 11-phenyl-N-undecylundecan-1-amine

11-phenyl-N-undecylundecan-1-amine (PubChem CID 175593224) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is 11-phenyl-N-undecylundecan-1-amine.

Molecular Properties

Compound Name11-phenyl-N-undecylundecan-1-amine
PubChem CID175593224
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC Name11-phenyl-N-undecylundecan-1-amine
SMILESCCCCCCCCCCCNCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C28H51N/c1-2-3-4-5-6-9-12-15-21-26-29-27-22-16-13-10-7-8-11-14-18-23-28-24-19-17-20-25-28/h17,19-20,24-25,29H,2-16,18,21-23,26-27H2,1H3
InChIKeyCZQPAIUFUBOIDN-UHFFFAOYSA-N
XLogP8.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 58.86
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-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
azane;tetradecylbenzene
CID 70503489

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-N-undecylundecan-1-amine?
The IUPAC name of 11-phenyl-N-undecylundecan-1-amine (CID 175593224) is 11-phenyl-N-undecylundecan-1-amine.
What is the SMILES notation for 11-phenyl-N-undecylundecan-1-amine?
The canonical SMILES for 11-phenyl-N-undecylundecan-1-amine is CCCCCCCCCCCNCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 11-phenyl-N-undecylundecan-1-amine?
The InChIKey is CZQPAIUFUBOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-2-3-4-5-6-9-12-15-21-26-29-27-22-16-13-10-7-8-11-14-18-23-28-24-19-17-20-25-28/h17,19-20,24-25,29H,2-16,18,21-23,26-27H2,1H3.
What are the key properties of 11-phenyl-N-undecylundecan-1-amine?
11-phenyl-N-undecylundecan-1-amine has a molecular weight of 401.72 g/mol, XLogP of 8.86, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-N-undecylundecan-1-amine is sourced from PubChem (CID 175593224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).