1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride

C23H40ClN — CID 173016471

IUPAC1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride
SMILESC=Cc1ccc(C(N)C(C)(C)CCCCCCCCCCC)cc1.Cl
InChIInChI=1S/C23H39N.ClH/c1-5-7-8-9-10-11-12-13-14-19-23(3,4)22(24)21-17-15-20(6-2)16-18-21;/h6,15-18,22H,2,5,7-14,19,24H2,1,3-4H3;1H
InChIKeyVIQSKCBRVVMJRB-UHFFFAOYSA-N
MW366.03 g/mol
LogP7.70
Rot. Bonds13

About 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride

1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride (PubChem CID 173016471) has the molecular formula C23H40ClN and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride
PubChem CID173016471
Molecular FormulaC23H40ClN
Molecular Weight366.03 g/mol
Exact Mass365.28
IUPAC Name1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride
SMILESC=Cc1ccc(C(N)C(C)(C)CCCCCCCCCCC)cc1.Cl
InChIInChI=1S/C23H39N.ClH/c1-5-7-8-9-10-11-12-13-14-19-23(3,4)22(24)21-17-15-20(6-2)16-18-21;/h6,15-18,22H,2,5,7-14,19,24H2,1,3-4H3;1H
InChIKeyVIQSKCBRVVMJRB-UHFFFAOYSA-N
XLogP7.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 57.70
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride?
The IUPAC name of 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride (CID 173016471) is 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride is C=Cc1ccc(C(N)C(C)(C)CCCCCCCCCCC)cc1.Cl.
What is the InChIKey of 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride?
The InChIKey is VIQSKCBRVVMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N.ClH/c1-5-7-8-9-10-11-12-13-14-19-23(3,4)22(24)21-17-15-20(6-2)16-18-21;/h6,15-18,22H,2,5,7-14,19,24H2,1,3-4H3;1H.
What are the key properties of 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride?
1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride has a molecular weight of 366.03 g/mol, XLogP of 7.70, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride is sourced from PubChem (CID 173016471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).