2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine

C8H18N2S — CID 103068681

IUPAC2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSCCN(C)C
InChIInChI=1S/C8H18N2S/c1-8(6-9)7-11-5-4-10(2)3/h1,4-7,9H2,2-3H3
InChIKeyPYASQTDRURDKNJ-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine

2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine (PubChem CID 103068681) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
PubChem CID103068681
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSCCN(C)C
InChIInChI=1S/C8H18N2S/c1-8(6-9)7-11-5-4-10(2)3/h1,4-7,9H2,2-3H3
InChIKeyPYASQTDRURDKNJ-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.80
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,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
CID 123873898
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068141
2-(2-Methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068144
2-(tert-butylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068168
2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine
CID 103068169
2-(Tert-butylsulfanylmethyl)prop-2-en-1-amine
CID 103068172
2-(tert-butylsulfanylmethyl)-N-ethylprop-2-en-1-amine
CID 103068173
N-propyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068175
N-methyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068176
N-ethyl-2-(propylsulfanylmethyl)prop-2-en-1-amine
CID 103068180
2-(butan-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine (CID 103068681) is 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine is C=C(CN)CSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The InChIKey is PYASQTDRURDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(6-9)7-11-5-4-10(2)3/h1,4-7,9H2,2-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine has a molecular weight of 174.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 103068681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).