1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine

C15H29NS — CID 65144047

IUPAC1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine
SMILESC=CCCCC(CSC1CCCCC1)NCC
InChIInChI=1S/C15H29NS/c1-3-5-7-10-14(16-4-2)13-17-15-11-8-6-9-12-15/h3,14-16H,1,4-13H2,2H3
InChIKeyBGGIECRNMGJMNO-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.39
Rot. Bonds9

About 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine

1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine (PubChem CID 65144047) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine
PubChem CID65144047
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine
SMILESC=CCCCC(CSC1CCCCC1)NCC
InChIInChI=1S/C15H29NS/c1-3-5-7-10-14(16-4-2)13-17-15-11-8-6-9-12-15/h3,14-16H,1,4-13H2,2H3
InChIKeyBGGIECRNMGJMNO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.39
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 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine (CID 65144047) is 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine is C=CCCCC(CSC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine?
The InChIKey is BGGIECRNMGJMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-3-5-7-10-14(16-4-2)13-17-15-11-8-6-9-12-15/h3,14-16H,1,4-13H2,2H3.
What are the key properties of 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine?
1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine has a molecular weight of 255.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine is sourced from PubChem (CID 65144047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).