N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine

C10H21NS — CID 105163369

IUPACN-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CCSC
InChIInChI=1S/C10H21NS/c1-5-11-10(6-7-12-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyUXEHMZHTLCDBMO-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine

N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine (PubChem CID 105163369) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
PubChem CID105163369
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CCSC
InChIInChI=1S/C10H21NS/c1-5-11-10(6-7-12-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3
InChIKeyUXEHMZHTLCDBMO-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
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

3-(3-Methylbut-2-enyl)-5-methylidene-1,4-thiazepane
CID 54024792
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
5,6-Dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010968
(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010970
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?
The IUPAC name of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine (CID 105163369) is N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?
The canonical SMILES for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine is CCNC(C=C(C)C)CCSC.
What is the InChIKey of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?
The InChIKey is UXEHMZHTLCDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-11-10(6-7-12-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?
N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine is sourced from PubChem (CID 105163369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).