4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine

C11H23NS — CID 105126897

IUPAC4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC(C)CCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-9(2)5-6-10(12)11(3)7-4-8-13-11/h9-10H,4-8,12H2,1-3H3
InChIKeyXIMBLOVZTDXVTA-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds4

About 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine

4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine (PubChem CID 105126897) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
PubChem CID105126897
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC(C)CCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-9(2)5-6-10(12)11(3)7-4-8-13-11/h9-10H,4-8,12H2,1-3H3
InChIKeyXIMBLOVZTDXVTA-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129649
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-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704
2-(2-methylphenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105091740
[2-methyl-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 107895936
[2-methyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105281773
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
CID 105179943
[3-cyclopropyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105315206

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The IUPAC name of 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine (CID 105126897) is 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine is CC(C)CCC(N)C1(C)CCCS1.
What is the InChIKey of 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The InChIKey is XIMBLOVZTDXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)5-6-10(12)11(3)7-4-8-13-11/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 105126897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).