azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride

C14H24ClN — CID 175185911

IUPACazane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride
SMILESC=Cc1ccc(CC)c(CC)c1CC.Cl.N
InChIInChI=1S/C14H20.ClH.H3N/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3;;/h5,9-10H,1,6-8H2,2-4H3;1H;1H3
InChIKeyRODQQLMDUFJTFD-UHFFFAOYSA-N
MW241.81 g/mol
LogP4.60
Rot. Bonds4

About azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride

azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride (PubChem CID 175185911) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride.

Molecular Properties

Compound Nameazane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride
PubChem CID175185911
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Nameazane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride
SMILESC=Cc1ccc(CC)c(CC)c1CC.Cl.N
InChIInChI=1S/C14H20.ClH.H3N/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3;;/h5,9-10H,1,6-8H2,2-4H3;1H;1H3
InChIKeyRODQQLMDUFJTFD-UHFFFAOYSA-N
XLogP4.60
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride?
The IUPAC name of azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride (CID 175185911) is azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride.
What is the SMILES notation for azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride?
The canonical SMILES for azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride is C=Cc1ccc(CC)c(CC)c1CC.Cl.N.
What is the InChIKey of azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride?
The InChIKey is RODQQLMDUFJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.ClH.H3N/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3;;/h5,9-10H,1,6-8H2,2-4H3;1H;1H3.
What are the key properties of azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride?
azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride is sourced from PubChem (CID 175185911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).