azane;tetradecylbenzene

C20H37N — CID 70503489

IUPACazane;tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1.N
InChIInChI=1S/C20H34.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H3
InChIKeyNFUZJZILXNIVKA-UHFFFAOYSA-N
MW291.52 g/mol
LogP7.09
Rot. Bonds13

About azane;tetradecylbenzene

azane;tetradecylbenzene (PubChem CID 70503489) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is azane;tetradecylbenzene.

Molecular Properties

Compound Nameazane;tetradecylbenzene
PubChem CID70503489
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Nameazane;tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1.N
InChIInChI=1S/C20H34.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H3
InChIKeyNFUZJZILXNIVKA-UHFFFAOYSA-N
XLogP7.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 57.09
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

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097
dichlorophosphane;octylbenzene
CID 173449895

Frequently Asked Questions

What is the IUPAC name of azane;tetradecylbenzene?
The IUPAC name of azane;tetradecylbenzene (CID 70503489) is azane;tetradecylbenzene.
What is the SMILES notation for azane;tetradecylbenzene?
The canonical SMILES for azane;tetradecylbenzene is CCCCCCCCCCCCCCc1ccccc1.N.
What is the InChIKey of azane;tetradecylbenzene?
The InChIKey is NFUZJZILXNIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H3.
What are the key properties of azane;tetradecylbenzene?
azane;tetradecylbenzene has a molecular weight of 291.52 g/mol, XLogP of 7.09, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetradecylbenzene is sourced from PubChem (CID 70503489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).