N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine

C8H17NS — CID 88543479

IUPACN,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-8(9(2)3)6-7-10-4/h5,8H,1,6-7H2,2-4H3
InChIKeyVJJAOBRGVZBKPE-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.86
Rot. Bonds5

About N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine

N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88543479) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88543479
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-8(9(2)3)6-7-10-4/h5,8H,1,6-7H2,2-4H3
InChIKeyVJJAOBRGVZBKPE-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
2,3,4-trimethyl-3,5-dihydro-2H-1,4-thiazepine
CID 68315569
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
(3S)-N,N,2-trimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88050788
N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88860373
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670
(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89053219
N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89198364
(3S)-N,N-diethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89468195
N-ethyl-N-[ethyl(dimethyl)-lambda4-sulfanyl]pent-4-en-2-amine
CID 123327137

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine (CID 88543479) is N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine is C=CC(CCSC)N(C)C.
What is the InChIKey of N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is VJJAOBRGVZBKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-8(9(2)3)6-7-10-4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine?
N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine 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-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88543479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).