(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine

C13H21NS — CID 154693277

IUPAC(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine
SMILESCCC1C=CC(/C(SC)=C(\C)NC)=CC1
InChIInChI=1S/C13H21NS/c1-5-11-6-8-12(9-7-11)13(15-4)10(2)14-3/h6,8-9,11,14H,5,7H2,1-4H3/b13-10-
InChIKeyIENFQRNVGFTJTG-RAXLEYEMSA-N
MW223.38 g/mol
LogP3.71
Rot. Bonds4

About (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine

(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine (PubChem CID 154693277) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine
PubChem CID154693277
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine
SMILESCCC1C=CC(/C(SC)=C(\C)NC)=CC1
InChIInChI=1S/C13H21NS/c1-5-11-6-8-12(9-7-11)13(15-4)10(2)14-3/h6,8-9,11,14H,5,7H2,1-4H3/b13-10-
InChIKeyIENFQRNVGFTJTG-RAXLEYEMSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine with MolForge

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Related Compounds

N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 146639726
N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 137439340
1-[4-(2-aminoethyl)cyclohexa-1,5-dien-1-yl]ethanone;methanol
CID 142914676
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
CID 163631919
(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
CID 170152478
4-(4-ethylcyclohexa-1,5-dien-1-yl)benzonitrile
CID 19005543
6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
CID 123833108
4-(hydroxymethyl)cyclohexa-1,5-diene-1-carbaldehyde
CID 154546516
methyl 4-hex-5-enylcyclohexa-1,5-diene-1-carboxylate
CID 23260133
4-ethyl-4-(4-ethylcyclohexa-1,5-dien-1-yl)oxyhexane-1,2-diol
CID 148807260
[4-(3-phenylbuta-1,3-dien-2-yl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89044109

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine?
The IUPAC name of (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine (CID 154693277) is (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine is CCC1C=CC(/C(SC)=C(\C)NC)=CC1.
What is the InChIKey of (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine?
The InChIKey is IENFQRNVGFTJTG-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-11-6-8-12(9-7-11)13(15-4)10(2)14-3/h6,8-9,11,14H,5,7H2,1-4H3/b13-10-.
What are the key properties of (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine?
(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine is sourced from PubChem (CID 154693277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).