N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine

C11H19NS2 — CID 115386914

IUPACN-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)C1SCCSC1C
InChIInChI=1S/C11H19NS2/c1-4-5-6-10(12-3)11-9(2)13-7-8-14-11/h1,9-12H,5-8H2,2-3H3
InChIKeyFGXVSKMPMUUOJB-UHFFFAOYSA-N
MW229.41 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine

N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine (PubChem CID 115386914) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine
PubChem CID115386914
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)C1SCCSC1C
InChIInChI=1S/C11H19NS2/c1-4-5-6-10(12-3)11-9(2)13-7-8-14-11/h1,9-12H,5-8H2,2-3H3
InChIKeyFGXVSKMPMUUOJB-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine
CID 115386776
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-(3-ethyl-1,4-dithian-2-yl)-N-methylbut-3-yn-1-amine
CID 115387903
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
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-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
1-(3-ethyl-1,4-dithian-2-yl)-N-methyloctan-1-amine
CID 115387777
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine (CID 115386914) is N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine is C#CCCC(NC)C1SCCSC1C.
What is the InChIKey of N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine?
The InChIKey is FGXVSKMPMUUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-4-5-6-10(12-3)11-9(2)13-7-8-14-11/h1,9-12H,5-8H2,2-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine?
N-methyl-1-(3-methyl-1,4-dithian-2-yl)pent-4-yn-1-amine has a molecular weight of 229.41 g/mol, XLogP of 2.22, 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)pent-4-yn-1-amine is sourced from PubChem (CID 115386914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).