(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine

C10H21NS — CID 129027035

IUPAC(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
SMILESCNCC/C=C\CSC(C)(C)C
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-6-8-11-4/h5,7,11H,6,8-9H2,1-4H3/b7-5-
InChIKeyHTIQSHDYARUPON-ALCCZGGFSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds5

About (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine

(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine (PubChem CID 129027035) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
PubChem CID129027035
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
SMILESCNCC/C=C\CSC(C)(C)C
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-6-8-11-4/h5,7,11H,6,8-9H2,1-4H3/b7-5-
InChIKeyHTIQSHDYARUPON-ALCCZGGFSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine (CID 129027035) is (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine is CNCC/C=C\CSC(C)(C)C.
What is the InChIKey of (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine?
The InChIKey is HTIQSHDYARUPON-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-6-8-11-4/h5,7,11H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine?
(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine is sourced from PubChem (CID 129027035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).