ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine

C13H29NS — CID 145444632

IUPACethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
SMILESC/C=C(/CCN(C)CCC)SCC.CC
InChIInChI=1S/C11H23NS.C2H6/c1-5-9-12(4)10-8-11(6-2)13-7-3;1-2/h6H,5,7-10H2,1-4H3;1-2H3/b11-6-;
InChIKeyBAJJZDDLXABGGJ-AVHZNCSWSA-N
MW231.45 g/mol
LogP4.40
Rot. Bonds7

About ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine

ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine (PubChem CID 145444632) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
PubChem CID145444632
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Nameethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
SMILESC/C=C(/CCN(C)CCC)SCC.CC
InChIInChI=1S/C11H23NS.C2H6/c1-5-9-12(4)10-8-11(6-2)13-7-3;1-2/h6H,5,7-10H2,1-4H3;1-2H3/b11-6-;
InChIKeyBAJJZDDLXABGGJ-AVHZNCSWSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
8-Diethylamino-4-butylthio-3-octene
CID 85898461
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
CID 3047919
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium iodide
CID 14442231
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine
CID 70499432
4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine
CID 89197924

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine (CID 145444632) is ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine is C/C=C(/CCN(C)CCC)SCC.CC.
What is the InChIKey of ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine?
The InChIKey is BAJJZDDLXABGGJ-AVHZNCSWSA-N. The full InChI is InChI=1S/C11H23NS.C2H6/c1-5-9-12(4)10-8-11(6-2)13-7-3;1-2/h6H,5,7-10H2,1-4H3;1-2H3/b11-6-;.
What are the key properties of ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine?
ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine has a molecular weight of 231.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 145444632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).