N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine

C11H21NS — CID 105107992

IUPACN-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1(C)CCCS1
InChIInChI=1S/C11H21NS/c1-4-7-10(12-5-2)11(3)8-6-9-13-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyNHIDEIGWZWXLEO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine

N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine (PubChem CID 105107992) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
PubChem CID105107992
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1(C)CCCS1
InChIInChI=1S/C11H21NS/c1-4-7-10(12-5-2)11(3)8-6-9-13-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyNHIDEIGWZWXLEO-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.83
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-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
N-ethyl-3,3a,8,8a-tetrahydro-2H-cyclohepta[b]thiophen-3-amine
CID 91535702
3-(1-ethylsulfanylethyl)-N-oct-7-en-2-yl-5-thiabicyclo[2.1.0]pentan-2-amine
CID 123976331
1-N-[6-[3-methyl-4-(methylamino)thiolan-2-yl]hex-1-en-2-yl]hexane-1,5-diamine;prop-1-ene
CID 141828038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine (CID 105107992) is N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine is C=CCC(NCC)C1(C)CCCS1.
What is the InChIKey of N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
The InChIKey is NHIDEIGWZWXLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-7-10(12-5-2)11(3)8-6-9-13-11/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine?
N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 105107992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).