(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine

C8H17NS — CID 134923052

IUPAC(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
SMILESCCC/C=C(/SC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-6-7-8(10-4)9(2)3/h7H,5-6H2,1-4H3/b8-7+
InChIKeyGRSSAQUNCJVVEQ-BQYQJAHWSA-N
MW159.30 g/mol
LogP2.55
Rot. Bonds4

About (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine

(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine (PubChem CID 134923052) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
PubChem CID134923052
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
SMILESCCC/C=C(/SC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-6-7-8(10-4)9(2)3/h7H,5-6H2,1-4H3/b8-7+
InChIKeyGRSSAQUNCJVVEQ-BQYQJAHWSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(dimethylamino)hex-1-ene-1-thiolate
CID 134875767
(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
CID 134923287
(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine
CID 88683674
(E)-N,N-dimethyl-1-methylsulfanylbut-1-en-1-amine
CID 133621262
(E)-1-(dimethylamino)hex-1-ene-1-thiol
CID 134875768

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine (CID 134923052) is (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine is CCC/C=C(/SC)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine?
The InChIKey is GRSSAQUNCJVVEQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-6-7-8(10-4)9(2)3/h7H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine?
(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine is sourced from PubChem (CID 134923052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).