N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine

C12H25NS — CID 105129851

IUPACN-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1(C)CCCS1
InChIInChI=1S/C12H25NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h11,13H,4-10H2,1-3H3
InChIKeyWWGBTCHTQBXXMX-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine

N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine (PubChem CID 105129851) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
PubChem CID105129851
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1(C)CCCS1
InChIInChI=1S/C12H25NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h11,13H,4-10H2,1-3H3
InChIKeyWWGBTCHTQBXXMX-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
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-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129649
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
CID 105077554
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
CID 105152690
N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105164036
[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
CID 105310945
N-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 115833048
1-(2-methylthiolan-2-yl)oct-7-enylhydrazine
CID 107013114
N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79057955
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
CID 105182489
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105152948

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine?
The IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine (CID 105129851) is N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine is CCCCCC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine?
The InChIKey is WWGBTCHTQBXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine?
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine is sourced from PubChem (CID 105129851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).