N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine

C10H19NS2 — CID 115386776

IUPACN-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1SCCSC1C
InChIInChI=1S/C10H19NS2/c1-4-5-9(11-3)10-8(2)12-6-7-13-10/h4,8-11H,1,5-7H2,2-3H3
InChIKeyZILGCCHADYGTBC-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine

N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine (PubChem CID 115386776) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine
PubChem CID115386776
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1SCCSC1C
InChIInChI=1S/C10H19NS2/c1-4-5-9(11-3)10-8(2)12-6-7-13-10/h4,8-11H,1,5-7H2,2-3H3
InChIKeyZILGCCHADYGTBC-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine
CID 115386914
N-methyl-1-(2-methylcyclopropyl)but-3-en-1-amine
CID 65422775
2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387151
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
CID 105259521
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259751
1-(4,4-difluorocyclohexyl)-N-methylbut-3-en-1-amine
CID 105108535
2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine
CID 115386714
1-(1,4-dioxan-2-yl)-N-methylbut-3-en-1-amine
CID 65352217
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine (CID 115386776) is N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine is C=CCC(NC)C1SCCSC1C.
What is the InChIKey of N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine?
The InChIKey is ZILGCCHADYGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-4-5-9(11-3)10-8(2)12-6-7-13-10/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine?
N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine has a molecular weight of 217.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine is sourced from PubChem (CID 115386776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).