ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine

C13H25NS — CID 143657128

IUPACethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine
SMILESC=CSC(=C)C(N)C/C(C)=C\CC.CC
InChIInChI=1S/C11H19NS.C2H6/c1-5-7-9(3)8-11(12)10(4)13-6-2;1-2/h6-7,11H,2,4-5,8,12H2,1,3H3;1-2H3/b9-7-;
InChIKeyDVZGTGUQMQAJQV-VILQZVERSA-N
MW227.42 g/mol
LogP4.48
Rot. Bonds6

About ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine

ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine (PubChem CID 143657128) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine.

Molecular Properties

Compound Nameethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine
PubChem CID143657128
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Nameethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine
SMILESC=CSC(=C)C(N)C/C(C)=C\CC.CC
InChIInChI=1S/C11H19NS.C2H6/c1-5-7-9(3)8-11(12)10(4)13-6-2;1-2/h6-7,11H,2,4-5,8,12H2,1,3H3;1-2H3/b9-7-;
InChIKeyDVZGTGUQMQAJQV-VILQZVERSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethenylsulfanylpent-2-ene
CID 142149125
2,3,5-trimethylocta-1,5-diene
CID 123730712
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol
CID 59970319
2-methylpent-2-enyl hydrogen carbonate
CID 173361904
(Z)-4,7-dimethyl-6-methylideneoct-3-ene
CID 143694445
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
CID 163683229
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine?
The IUPAC name of ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine (CID 143657128) is ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine.
What is the SMILES notation for ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine?
The canonical SMILES for ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine is C=CSC(=C)C(N)C/C(C)=C\CC.CC.
What is the InChIKey of ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine?
The InChIKey is DVZGTGUQMQAJQV-VILQZVERSA-N. The full InChI is InChI=1S/C11H19NS.C2H6/c1-5-7-9(3)8-11(12)10(4)13-6-2;1-2/h6-7,11H,2,4-5,8,12H2,1,3H3;1-2H3/b9-7-;.
What are the key properties of ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine?
ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine has a molecular weight of 227.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-2-ethenylsulfanyl-5-methylocta-1,5-dien-3-amine is sourced from PubChem (CID 143657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).