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

C10H22N2S — CID 103068649

IUPAC2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSCCN(CC)CC
InChIInChI=1S/C10H22N2S/c1-4-12(5-2)6-7-13-9-10(3)8-11/h3-9,11H2,1-2H3
InChIKeyPBCJUEJTCRGNRM-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.58
Rot. Bonds8

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

2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine (PubChem CID 103068649) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
PubChem CID103068649
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSCCN(CC)CC
InChIInChI=1S/C10H22N2S/c1-4-12(5-2)6-7-13-9-10(3)8-11/h3-9,11H2,1-2H3
InChIKeyPBCJUEJTCRGNRM-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.58
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'}

Analyze 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
CID 123873898
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
2-(2-methylpropylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068140
N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068141
2-(2-Methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068144
N-ethyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068145
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine (CID 103068649) is 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine is C=C(CN)CSCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
The InChIKey is PBCJUEJTCRGNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-4-12(5-2)6-7-13-9-10(3)8-11/h3-9,11H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine?
2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 103068649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).