(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine

C14H25NS — CID 143097606

IUPAC(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine
SMILESC/C=C(\C=C/C(C)SC1CCCCC1)CN
InChIInChI=1S/C14H25NS/c1-3-13(11-15)10-9-12(2)16-14-7-5-4-6-8-14/h3,9-10,12,14H,4-8,11,15H2,1-2H3/b10-9-,13-3+
InChIKeyJPGBWGHRHUUNOE-VWBNHAHASA-N
MW239.43 g/mol
LogP3.90
Rot. Bonds5

About (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine

(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine (PubChem CID 143097606) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine
PubChem CID143097606
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine
SMILESC/C=C(\C=C/C(C)SC1CCCCC1)CN
InChIInChI=1S/C14H25NS/c1-3-13(11-15)10-9-12(2)16-14-7-5-4-6-8-14/h3,9-10,12,14H,4-8,11,15H2,1-2H3/b10-9-,13-3+
InChIKeyJPGBWGHRHUUNOE-VWBNHAHASA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

but-3-en-2-ylsulfanylcyclopentane
CID 59882078
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
1-cyclohexylsulfanylethanamine
CID 22450260
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol
CID 114370322
1-bromoethylsulfanylcyclohexane
CID 70102575
2-cycloheptylsulfanylpropanoic acid
CID 82925938
1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
CID 64815274
2-cycloheptyl-2-cyclohexylsulfanylethanamine
CID 82931571
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
2-cyclohexylsulfanylbutan-1-ol
CID 117035393
4-cyclohexylsulfanylpentanoic acid
CID 62213265

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine?
The IUPAC name of (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine (CID 143097606) is (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine.
What is the SMILES notation for (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine?
The canonical SMILES for (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine is C/C=C(\C=C/C(C)SC1CCCCC1)CN.
What is the InChIKey of (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine?
The InChIKey is JPGBWGHRHUUNOE-VWBNHAHASA-N. The full InChI is InChI=1S/C14H25NS/c1-3-13(11-15)10-9-12(2)16-14-7-5-4-6-8-14/h3,9-10,12,14H,4-8,11,15H2,1-2H3/b10-9-,13-3+.
What are the key properties of (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine?
(Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine has a molecular weight of 239.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-5-cyclohexylsulfanyl-2-ethylidenehex-3-en-1-amine is sourced from PubChem (CID 143097606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).