N-benzyltridecan-1-amine;hydrochloride

C20H36ClN — CID 173249552

IUPACN-benzyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCNCc1ccccc1.Cl
InChIInChI=1S/C20H35N.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-19-20-16-13-12-14-17-20;/h12-14,16-17,21H,2-11,15,18-19H2,1H3;1H
InChIKeyCZLYXSJWTWNHGQ-UHFFFAOYSA-N
MW325.97 g/mol
LogP6.51
Rot. Bonds14

About N-benzyltridecan-1-amine;hydrochloride

N-benzyltridecan-1-amine;hydrochloride (PubChem CID 173249552) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is N-benzyltridecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyltridecan-1-amine;hydrochloride
PubChem CID173249552
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC NameN-benzyltridecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCNCc1ccccc1.Cl
InChIInChI=1S/C20H35N.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-19-20-16-13-12-14-17-20;/h12-14,16-17,21H,2-11,15,18-19H2,1H3;1H
InChIKeyCZLYXSJWTWNHGQ-UHFFFAOYSA-N
XLogP6.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.97
LogP ≤ 56.51
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

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Frequently Asked Questions

What is the IUPAC name of N-benzyltridecan-1-amine;hydrochloride?
The IUPAC name of N-benzyltridecan-1-amine;hydrochloride (CID 173249552) is N-benzyltridecan-1-amine;hydrochloride.
What is the SMILES notation for N-benzyltridecan-1-amine;hydrochloride?
The canonical SMILES for N-benzyltridecan-1-amine;hydrochloride is CCCCCCCCCCCCCNCc1ccccc1.Cl.
What is the InChIKey of N-benzyltridecan-1-amine;hydrochloride?
The InChIKey is CZLYXSJWTWNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-19-20-16-13-12-14-17-20;/h12-14,16-17,21H,2-11,15,18-19H2,1H3;1H.
What are the key properties of N-benzyltridecan-1-amine;hydrochloride?
N-benzyltridecan-1-amine;hydrochloride has a molecular weight of 325.97 g/mol, XLogP of 6.51, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyltridecan-1-amine;hydrochloride is sourced from PubChem (CID 173249552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).