azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride

C14H22ClN — CID 174764098

IUPACazane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
SMILESC=CCC(=C(C)C)c1ccc(C)cc1.Cl.N
InChIInChI=1S/C14H18.ClH.H3N/c1-5-6-14(11(2)3)13-9-7-12(4)8-10-13;;/h5,7-10H,1,6H2,2-4H3;1H;1H3
InChIKeyHSCJEHPMZXOEOV-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.95
Rot. Bonds3

About azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride

azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride (PubChem CID 174764098) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride.

Molecular Properties

Compound Nameazane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
PubChem CID174764098
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Nameazane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
SMILESC=CCC(=C(C)C)c1ccc(C)cc1.Cl.N
InChIInChI=1S/C14H18.ClH.H3N/c1-5-6-14(11(2)3)13-9-7-12(4)8-10-13;;/h5,7-10H,1,6H2,2-4H3;1H;1H3
InChIKeyHSCJEHPMZXOEOV-UHFFFAOYSA-N
XLogP4.95
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride?
The IUPAC name of azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride (CID 174764098) is azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride.
What is the SMILES notation for azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride?
The canonical SMILES for azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride is C=CCC(=C(C)C)c1ccc(C)cc1.Cl.N.
What is the InChIKey of azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride?
The InChIKey is HSCJEHPMZXOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.ClH.H3N/c1-5-6-14(11(2)3)13-9-7-12(4)8-10-13;;/h5,7-10H,1,6H2,2-4H3;1H;1H3.
What are the key properties of azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride?
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride is sourced from PubChem (CID 174764098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).