N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine

C10H21NS — CID 104668675

IUPACN-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCC1(CC)CC1
InChIInChI=1S/C10H21NS/c1-3-10(5-6-10)9-11-7-8-12-4-2/h11H,3-9H2,1-2H3
InChIKeyJCGWIARZDPLSET-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds7

About N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine

N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine (PubChem CID 104668675) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
PubChem CID104668675
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCC1(CC)CC1
InChIInChI=1S/C10H21NS/c1-3-10(5-6-10)9-11-7-8-12-4-2/h11H,3-9H2,1-2H3
InChIKeyJCGWIARZDPLSET-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 104668682
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
CID 107272066
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114100611
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114125181
2-ethylsulfanyl-N-methylethanamine
CID 18683899
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine (CID 104668675) is N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine is CCSCCNCC1(CC)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine?
The InChIKey is JCGWIARZDPLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-10(5-6-10)9-11-7-8-12-4-2/h11H,3-9H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine?
N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine is sourced from PubChem (CID 104668675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).