11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride

C20H44ClNS — CID 173480260

IUPAC11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride
SMILESCCCC(CCCCCCCCCS)C(N)(CCC)CCC.Cl
InChIInChI=1S/C20H43NS.ClH/c1-4-14-19(20(21,16-5-2)17-6-3)15-12-10-8-7-9-11-13-18-22;/h19,22H,4-18,21H2,1-3H3;1H
InChIKeyPIJATJWFFAHMFR-UHFFFAOYSA-N
MW366.10 g/mol
LogP7.17
Rot. Bonds16

About 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride

11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride (PubChem CID 173480260) has the molecular formula C20H44ClNS and a molecular weight of 366.10 g/mol. Its IUPAC name is 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride.

Molecular Properties

Compound Name11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride
PubChem CID173480260
Molecular FormulaC20H44ClNS
Molecular Weight366.10 g/mol
Exact Mass365.29
IUPAC Name11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride
SMILESCCCC(CCCCCCCCCS)C(N)(CCC)CCC.Cl
InChIInChI=1S/C20H43NS.ClH/c1-4-14-19(20(21,16-5-2)17-6-3)15-12-10-8-7-9-11-13-18-22;/h19,22H,4-18,21H2,1-3H3;1H
InChIKeyPIJATJWFFAHMFR-UHFFFAOYSA-N
XLogP7.17
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride?
The IUPAC name of 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride (CID 173480260) is 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride.
What is the SMILES notation for 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride?
The canonical SMILES for 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride is CCCC(CCCCCCCCCS)C(N)(CCC)CCC.Cl.
What is the InChIKey of 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride?
The InChIKey is PIJATJWFFAHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NS.ClH/c1-4-14-19(20(21,16-5-2)17-6-3)15-12-10-8-7-9-11-13-18-22;/h19,22H,4-18,21H2,1-3H3;1H.
What are the key properties of 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride?
11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride has a molecular weight of 366.10 g/mol, XLogP of 7.17, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-10,11-dipropyltetradecane-1-thiol;hydrochloride is sourced from PubChem (CID 173480260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).