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

C14H29NS — CID 143657139

IUPACethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine
SMILESC=CSC(=C)C(N)C/C(C)=C\C.CC.CC
InChIInChI=1S/C10H17NS.2C2H6/c1-5-8(3)7-10(11)9(4)12-6-2;2*1-2/h5-6,10H,2,4,7,11H2,1,3H3;2*1-2H3/b8-5-;;
InChIKeyCBTSUVUVGPPFFG-XTKZWJJBSA-N
MW243.46 g/mol
LogP5.11
Rot. Bonds5

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

ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine (PubChem CID 143657139) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine.

Molecular Properties

Compound Nameethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine
PubChem CID143657139
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Nameethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine
SMILESC=CSC(=C)C(N)C/C(C)=C\C.CC.CC
InChIInChI=1S/C10H17NS.2C2H6/c1-5-8(3)7-10(11)9(4)12-6-2;2*1-2/h5-6,10H,2,4,7,11H2,1,3H3;2*1-2H3/b8-5-;;
InChIKeyCBTSUVUVGPPFFG-XTKZWJJBSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine
CID 143343262
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CID 14537476
2-[(3,7-Dimethylocta-2,6-dien-1-yl)sulfanyl]ethan-1-amine
CID 54347198
2-(5-Methylhex-4-enylsulfanyl)ethanamine
CID 58684584
2-Methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 70974519
(3S)-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87074446
(3S)-4-methylidene-1-methylsulfanylhexan-3-amine
CID 87160080
(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87415061
(3S)-4-methylidene-1-methylsulfanylhept-6-en-3-amine
CID 88850658
(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89002712
7-Methyl-5,6-dihydro-1-benzothiophen-6-amine
CID 89073817
(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
CID 89074128

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine?
The IUPAC name of ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine (CID 143657139) is ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine.
What is the SMILES notation for ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine?
The canonical SMILES for ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine is C=CSC(=C)C(N)C/C(C)=C\C.CC.CC.
What is the InChIKey of ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine?
The InChIKey is CBTSUVUVGPPFFG-XTKZWJJBSA-N. The full InChI is InChI=1S/C10H17NS.2C2H6/c1-5-8(3)7-10(11)9(4)12-6-2;2*1-2/h5-6,10H,2,4,7,11H2,1,3H3;2*1-2H3/b8-5-;;.
What are the key properties of ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine?
ethane;(5Z)-2-ethenylsulfanyl-5-methylhepta-1,5-dien-3-amine has a molecular weight of 243.46 g/mol, XLogP of 5.11, 5 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-methylhepta-1,5-dien-3-amine is sourced from PubChem (CID 143657139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).