N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine

C13H25NS — CID 105182489

IUPACN-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-5-14-12(8-7-11(2)3)13(4)9-6-10-15-13/h12,14H,2,5-10H2,1,3-4H3
InChIKeyIPJRITBSRVHBDM-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine (PubChem CID 105182489) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
PubChem CID105182489
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-5-14-12(8-7-11(2)3)13(4)9-6-10-15-13/h12,14H,2,5-10H2,1,3-4H3
InChIKeyIPJRITBSRVHBDM-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.61
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

N-ethyl-2-methoxy-1-(2-methylthiolan-2-yl)ethanamine
CID 105165560
N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147773
N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105164036
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114476115
[3-methylidene-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 105320436
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
1-(1-ethylcyclopentyl)-N,4-dimethylpent-4-en-1-amine
CID 105039581
1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105152690
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105152948
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105159661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine (CID 105182489) is N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine is C=C(C)CCC(NCC)C1(C)CCCS1.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The InChIKey is IPJRITBSRVHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-5-14-12(8-7-11(2)3)13(4)9-6-10-15-13/h12,14H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 105182489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).