2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine

C11H23NS — CID 80722889

IUPAC2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
SMILESCCC(C)CNCC1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-4-10(2)8-12-9-11(3)6-5-7-13-11/h10,12H,4-9H2,1-3H3
InChIKeyJOJZAJNHKRSMQW-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds5

About 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine

2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine (PubChem CID 80722889) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
PubChem CID80722889
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
SMILESCCC(C)CNCC1(C)CCCS1
InChIInChI=1S/C11H23NS/c1-4-10(2)8-12-9-11(3)6-5-7-13-11/h10,12H,4-9H2,1-3H3
InChIKeyJOJZAJNHKRSMQW-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine (CID 80722889) is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine is CCC(C)CNCC1(C)CCCS1.
What is the InChIKey of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine?
The InChIKey is JOJZAJNHKRSMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-10(2)8-12-9-11(3)6-5-7-13-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine?
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 80722889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).