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

C11H23NS — CID 105129649

IUPAC1-(2-methylthiolan-2-yl)hexan-1-amine
SMILESCCCCCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-7-10(12)11(2)8-6-9-13-11/h10H,3-9,12H2,1-2H3
InChIKeyBIHFNKKFTAXERQ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.18
Rot. Bonds5

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

1-(2-methylthiolan-2-yl)hexan-1-amine (PubChem CID 105129649) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)hexan-1-amine
PubChem CID105129649
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(2-methylthiolan-2-yl)hexan-1-amine
SMILESCCCCCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-3-4-5-7-10(12)11(2)8-6-9-13-11/h10H,3-9,12H2,1-2H3
InChIKeyBIHFNKKFTAXERQ-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.18
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

4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105126897
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanamine
CID 164653228
[2-methyl-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 107895936
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-[1-(2-methylpropyl)cyclopentyl]hexan-1-amine
CID 115837142
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)hexan-1-amine?
The IUPAC name of 1-(2-methylthiolan-2-yl)hexan-1-amine (CID 105129649) is 1-(2-methylthiolan-2-yl)hexan-1-amine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)hexan-1-amine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)hexan-1-amine is CCCCCC(N)C1(C)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)hexan-1-amine?
The InChIKey is BIHFNKKFTAXERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-4-5-7-10(12)11(2)8-6-9-13-11/h10H,3-9,12H2,1-2H3.
What are the key properties of 1-(2-methylthiolan-2-yl)hexan-1-amine?
1-(2-methylthiolan-2-yl)hexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)hexan-1-amine is sourced from PubChem (CID 105129649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).