N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine

C10H21NS — CID 79178394

IUPACN-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)CSCC
InChIInChI=1S/C10H21NS/c1-5-11-10(7-9(3)4)8-12-6-2/h7,10-11H,5-6,8H2,1-4H3
InChIKeyPTZUPIWLMZYBIL-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine

N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine (PubChem CID 79178394) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine
PubChem CID79178394
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)CSCC
InChIInChI=1S/C10H21NS/c1-5-11-10(7-9(3)4)8-12-6-2/h7,10-11H,5-6,8H2,1-4H3
InChIKeyPTZUPIWLMZYBIL-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

2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
7-Propan-2-yl-2,3,4,5-tetrahydro-1,4-thiazepine
CID 70452161
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
(5S)-5-[bis(ethylsulfanyl)methyl]-2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 91522422
(E)-3-[(Z)-but-2-en-2-yl]sulfanyl-4-methylhex-3-en-2-amine
CID 132032768
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
(Z)-N-[1-(trimethyl-lambda4-sulfanyl)but-3-en-2-yl]pent-2-en-2-amine
CID 138667307
3-methyl-2-[(Z)-pent-2-en-2-yl]-N-propan-2-ylthiiran-2-amine
CID 139304724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine (CID 79178394) is N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)CSCC.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine?
The InChIKey is PTZUPIWLMZYBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-11-10(7-9(3)4)8-12-6-2/h7,10-11H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-amine?
N-ethyl-1-ethylsulfanyl-4-methylpent-3-en-2-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-1-ethylsulfanyl-4-methylpent-3-en-2-amine is sourced from PubChem (CID 79178394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).