2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine

C13H28N2S — CID 103068645

IUPAC2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSCCN(CC)CC
InChIInChI=1S/C13H28N2S/c1-5-8-14-11-13(4)12-16-10-9-15(6-2)7-3/h14H,4-12H2,1-3H3
InChIKeyYSWRXQYBWZKAKF-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.62
Rot. Bonds11

About 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine

2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine (PubChem CID 103068645) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
PubChem CID103068645
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSCCN(CC)CC
InChIInChI=1S/C13H28N2S/c1-5-8-14-11-13(4)12-16-10-9-15(6-2)7-3/h14H,4-12H2,1-3H3
InChIKeyYSWRXQYBWZKAKF-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695349
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100
N-tert-butyl-1-tert-butylsulfanyl-3-methylbut-3-en-2-amine
CID 167623185
(7Z)-7-methyl-2,3,4,5,6,9-hexahydro-1,5-thiazonine
CID 169804307
N-tert-butyl-2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]sulfanylprop-2-en-1-amine
CID 170194065
N-ethyl-N-methyl-3-methylsulfanylpropan-1-amine;(Z)-N-methylbut-2-en-1-amine
CID 170601600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine (CID 103068645) is 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CSCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine?
The InChIKey is YSWRXQYBWZKAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-5-8-14-11-13(4)12-16-10-9-15(6-2)7-3/h14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine?
2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103068645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).