sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride

C21H39ClNNa — CID 173446112

IUPACsodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
SMILESCCCCCCCCCCCCc1ccccc1C(C)(C)N.Cl.[H-].[Na+]
InChIInChI=1S/C21H37N.ClH.Na.H/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;;;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H;;/q;;+1;-1
InChIKeyATDGDRSUCHLFIN-UHFFFAOYSA-N
MW363.99 g/mol
LogP3.88
Rot. Bonds12

About sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride

sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride (PubChem CID 173446112) has the molecular formula C21H39ClNNa and a molecular weight of 363.99 g/mol. Its IUPAC name is sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride.

Molecular Properties

Compound Namesodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
PubChem CID173446112
Molecular FormulaC21H39ClNNa
Molecular Weight363.99 g/mol
Exact Mass363.27
IUPAC Namesodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
SMILESCCCCCCCCCCCCc1ccccc1C(C)(C)N.Cl.[H-].[Na+]
InChIInChI=1S/C21H37N.ClH.Na.H/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;;;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H;;/q;;+1;-1
InChIKeyATDGDRSUCHLFIN-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.99
LogP ≤ 53.88
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 sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride?
The IUPAC name of sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride (CID 173446112) is sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride.
What is the SMILES notation for sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride?
The canonical SMILES for sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride is CCCCCCCCCCCCc1ccccc1C(C)(C)N.Cl.[H-].[Na+].
What is the InChIKey of sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride?
The InChIKey is ATDGDRSUCHLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N.ClH.Na.H/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;;;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H;;/q;;+1;-1.
What are the key properties of sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride?
sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride has a molecular weight of 363.99 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride is sourced from PubChem (CID 173446112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).