N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine

C8H17NS — CID 130758027

IUPACN,4-dimethyl-4-methylsulfanylpent-1-en-3-amine
SMILESC=CC(NC)C(C)(C)SC
InChIInChI=1S/C8H17NS/c1-6-7(9-4)8(2,3)10-5/h6-7,9H,1H2,2-5H3
InChIKeyBXSRJCGDEQDDBV-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.90
Rot. Bonds4

About N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine

N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine (PubChem CID 130758027) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-4-methylsulfanylpent-1-en-3-amine
PubChem CID130758027
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,4-dimethyl-4-methylsulfanylpent-1-en-3-amine
SMILESC=CC(NC)C(C)(C)SC
InChIInChI=1S/C8H17NS/c1-6-7(9-4)8(2,3)10-5/h6-7,9H,1H2,2-5H3
InChIKeyBXSRJCGDEQDDBV-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,3-N,2-tetramethylpent-4-ene-2,3-diamine
CID 79053896
N,4,4,6,6-pentamethyloct-1-en-3-amine
CID 137384042
3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
CID 160694927
4,4-difluoropent-1-en-3-ylhydrazine
CID 130657320
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
1-methyl-2-penta-1,4-dien-3-ylhydrazine
CID 144963768
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
(2S)-3-hydroxy-3-methyl-2-(methylamino)butanal
CID 168758860
2-tert-butyl-N-methylbut-3-en-1-amine
CID 134342155
N-butan-2-yl-4,4-dimethylpent-1-en-3-amine
CID 89195459
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
3-tert-butylpenta-1,4-diene
CID 12556609

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine?
The IUPAC name of N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine (CID 130758027) is N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine is C=CC(NC)C(C)(C)SC.
What is the InChIKey of N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine?
The InChIKey is BXSRJCGDEQDDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6-7(9-4)8(2,3)10-5/h6-7,9H,1H2,2-5H3.
What are the key properties of N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine?
N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 130758027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).