N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine

C8H17NS — CID 123873898

IUPACN,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
SMILESC=C(C)CSCCN(C)C
InChIInChI=1S/C8H17NS/c1-8(2)7-10-6-5-9(3)4/h1,5-7H2,2-4H3
InChIKeyKNWNNACOBMKMAJ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.86
Rot. Bonds5

About N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine

N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine (PubChem CID 123873898) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
PubChem CID123873898
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
SMILESC=C(C)CSCCN(C)C
InChIInChI=1S/C8H17NS/c1-8(2)7-10-6-5-9(3)4/h1,5-7H2,2-4H3
InChIKeyKNWNNACOBMKMAJ-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2z)-2,3-bis(t-butyl-sulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 129749747
N-[(E)-3-ethylsulfanyl-2-methylprop-1-enyl]sulfanyl-N-methylmethanamine
CID 129313333
1-but-1-en-2-ylsulfanyl-N,N-dimethylethanamine
CID 146392762
N,N-dimethyl-2-prop-1-en-2-ylsulfanylethanamine
CID 153605506
N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine
CID 10329787
N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine
CID 10442460
(Z)-2,3-bis(butylsulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 101851411
2-[2-(chloromethyl)prop-2-enylsulfanyl]-N,N-dimethylethanamine
CID 103066325
2-[2-(Diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
CID 103068649
2-[2-(Dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
CID 103068681
2-[2-(Diethylamino)ethylsulfanylmethyl]prop-2-ene-1-thiol
CID 103074213
2-[2-(Dimethylamino)ethylsulfanylmethyl]prop-2-ene-1-thiol
CID 103074218

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine (CID 123873898) is N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine is C=C(C)CSCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine?
The InChIKey is KNWNNACOBMKMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)7-10-6-5-9(3)4/h1,5-7H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine?
N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 123873898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).