ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine

C25H37NS — CID 143033349

IUPACethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)NC(=C/C)/C=c1/sc(C(=C)C)cc1=C.CC.CCC1=CCCC=C1
InChIInChI=1S/C15H19NS.C8H12.C2H6/c1-7-13(16-11(4)5)9-15-12(6)8-14(17-15)10(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-9,16H,2,4,6H2,1,3,5H3;4,6-7H,2-3,5H2,1H3;1-2H3/b13-7+,15-9+;;
InChIKeyPJNFOSFGBAWWDJ-DCEOOUNXSA-N
MW383.65 g/mol
LogP6.70
Rot. Bonds5

About ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine

ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine (PubChem CID 143033349) has the molecular formula C25H37NS and a molecular weight of 383.65 g/mol. Its IUPAC name is ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine
PubChem CID143033349
Molecular FormulaC25H37NS
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Nameethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)NC(=C/C)/C=c1/sc(C(=C)C)cc1=C.CC.CCC1=CCCC=C1
InChIInChI=1S/C15H19NS.C8H12.C2H6/c1-7-13(16-11(4)5)9-15-12(6)8-14(17-15)10(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-9,16H,2,4,6H2,1,3,5H3;4,6-7H,2-3,5H2,1H3;1-2H3/b13-7+,15-9+;;
InChIKeyPJNFOSFGBAWWDJ-DCEOOUNXSA-N
XLogP6.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine?
The IUPAC name of ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine (CID 143033349) is ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine.
What is the SMILES notation for ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine?
The canonical SMILES for ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine is C=C(C)NC(=C/C)/C=c1/sc(C(=C)C)cc1=C.CC.CCC1=CCCC=C1.
What is the InChIKey of ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine?
The InChIKey is PJNFOSFGBAWWDJ-DCEOOUNXSA-N. The full InChI is InChI=1S/C15H19NS.C8H12.C2H6/c1-7-13(16-11(4)5)9-15-12(6)8-14(17-15)10(2)3;1-2-8-6-4-3-5-7-8;1-2/h7-9,16H,2,4,6H2,1,3,5H3;4,6-7H,2-3,5H2,1H3;1-2H3/b13-7+,15-9+;;.
What are the key properties of ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine?
ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine has a molecular weight of 383.65 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine is sourced from PubChem (CID 143033349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).