N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine

C9H19NS — CID 10329787

IUPACN,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine
SMILESC=C(C)CCSCCN(C)C
InChIInChI=1S/C9H19NS/c1-9(2)5-7-11-8-6-10(3)4/h1,5-8H2,2-4H3
InChIKeyDPSAVSKBDFZDLN-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.25
Rot. Bonds6

About N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine

N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine (PubChem CID 10329787) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine
PubChem CID10329787
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine
SMILESC=C(C)CCSCCN(C)C
InChIInChI=1S/C9H19NS/c1-9(2)5-7-11-8-6-10(3)4/h1,5-8H2,2-4H3
InChIKeyDPSAVSKBDFZDLN-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.25
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

Methyl(3-methylbut-3-en-1-yl)[2-(methylsulfanyl)ethyl]amine
CID 145867182
N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
CID 123873898
(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine
CID 130197422
(1E)-N,N-dimethyl-1-(3-methylidenethiolan-2-ylidene)methanamine;ethane
CID 142056566
1-but-1-en-2-ylsulfanyl-N,N-dimethylethanamine
CID 146392762
N-ethyl-N-methyl-4-(2-methylidenepentylsulfanyl)butan-2-amine
CID 155158058
N-[dimethyl(3-methylbut-3-en-2-yl)-lambda4-sulfanyl]-N-methylmethanamine
CID 156574055
2-But-1-en-2-ylsulfanylethyl-butyl-ethyl-propylazanium
CID 166750034
N-(3-ethylsulfanylpropyl)-N-methyl-2-methylidenebut-3-en-1-amine
CID 167201810
N-methyl-N-propyl-2-(propylsulfanylmethyl)but-3-en-1-amine
CID 170317553
N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine
CID 10330096
3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine
CID 10397261

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine (CID 10329787) is N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine is C=C(C)CCSCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine?
The InChIKey is DPSAVSKBDFZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2)5-7-11-8-6-10(3)4/h1,5-8H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine?
N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine has a molecular weight of 173.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbut-3-enylsulfanyl)ethanamine is sourced from PubChem (CID 10329787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).