(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine

C23H43NS — CID 143683663

IUPAC(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine
SMILESC=C(CCCC/C=C\C=C(\CCC(C)SC(C)(C)C)NC)C(C)(C)C
InChIInChI=1S/C23H43NS/c1-19(22(3,4)5)15-13-11-10-12-14-16-21(24-9)18-17-20(2)25-23(6,7)8/h12,14,16,20,24H,1,10-11,13,15,17-18H2,2-9H3/b14-12-,21-16-
InChIKeyLPUFEWMDLVHRHV-NUOPWSFOSA-N
MW365.67 g/mol
LogP7.51
Rot. Bonds11

About (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine

(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine (PubChem CID 143683663) has the molecular formula C23H43NS and a molecular weight of 365.67 g/mol. Its IUPAC name is (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine.

Molecular Properties

Compound Name(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine
PubChem CID143683663
Molecular FormulaC23H43NS
Molecular Weight365.67 g/mol
Exact Mass365.31
IUPAC Name(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine
SMILESC=C(CCCC/C=C\C=C(\CCC(C)SC(C)(C)C)NC)C(C)(C)C
InChIInChI=1S/C23H43NS/c1-19(22(3,4)5)15-13-11-10-12-14-16-21(24-9)18-17-20(2)25-23(6,7)8/h12,14,16,20,24H,1,10-11,13,15,17-18H2,2-9H3/b14-12-,21-16-
InChIKeyLPUFEWMDLVHRHV-NUOPWSFOSA-N
XLogP7.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.67
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine?
The IUPAC name of (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine (CID 143683663) is (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine.
What is the SMILES notation for (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine?
The canonical SMILES for (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine is C=C(CCCC/C=C\C=C(\CCC(C)SC(C)(C)C)NC)C(C)(C)C.
What is the InChIKey of (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine?
The InChIKey is LPUFEWMDLVHRHV-NUOPWSFOSA-N. The full InChI is InChI=1S/C23H43NS/c1-19(22(3,4)5)15-13-11-10-12-14-16-21(24-9)18-17-20(2)25-23(6,7)8/h12,14,16,20,24H,1,10-11,13,15,17-18H2,2-9H3/b14-12-,21-16-.
What are the key properties of (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine?
(5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine has a molecular weight of 365.67 g/mol, XLogP of 7.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2-tert-butylsulfanyl-N,14,14-trimethyl-13-methylidenepentadeca-5,7-dien-5-amine is sourced from PubChem (CID 143683663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).