N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine

C10H21NS — CID 10442460

IUPACN,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine
SMILESC=C(C)CCSCCCN(C)C
InChIInChI=1S/C10H21NS/c1-10(2)6-9-12-8-5-7-11(3)4/h1,5-9H2,2-4H3
InChIKeyWFQXPFFWRSAORX-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.64
Rot. Bonds7

About N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine

N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine (PubChem CID 10442460) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine
PubChem CID10442460
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine
SMILESC=C(C)CCSCCCN(C)C
InChIInChI=1S/C10H21NS/c1-10(2)6-9-12-8-5-7-11(3)4/h1,5-9H2,2-4H3
InChIKeyWFQXPFFWRSAORX-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.64
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

2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
Methyl(3-methylbut-3-en-1-yl)[2-(methylsulfanyl)ethyl]amine
CID 145867182
3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine
CID 54512716
(3S)-N,N,2-trimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88050788
N,N-dimethyl-2-(2-methylprop-2-enylsulfanyl)ethanamine
CID 123873898
(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine
CID 130197422
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine
CID 139359284
1-but-1-en-2-ylsulfanyl-N,N-dimethylethanamine
CID 146392762
N-ethyl-N-methyl-4-(2-methylidenepentylsulfanyl)butan-2-amine
CID 155158058
4-Methyl-2-prop-1-en-2-ylthiomorpholine
CID 155383433
2-But-1-en-2-ylsulfanylethyl-butyl-ethyl-propylazanium
CID 166750034

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine (CID 10442460) is N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine is C=C(C)CCSCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine?
The InChIKey is WFQXPFFWRSAORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2)6-9-12-8-5-7-11(3)4/h1,5-9H2,2-4H3.
What are the key properties of N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine?
N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylbut-3-enylsulfanyl)propan-1-amine is sourced from PubChem (CID 10442460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).