ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine

C12H23NS — CID 156724928

IUPACethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
SMILESCC.Cc1csc(C(N)CC(C)C)c1
InChIInChI=1S/C10H17NS.C2H6/c1-7(2)4-9(11)10-5-8(3)6-12-10;1-2/h5-7,9H,4,11H2,1-3H3;1-2H3
InChIKeyCHADXRLEBBLPRB-UHFFFAOYSA-N
MW213.39 g/mol
LogP4.13
Rot. Bonds3

About ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine

ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine (PubChem CID 156724928) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
PubChem CID156724928
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Nameethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
SMILESCC.Cc1csc(C(N)CC(C)C)c1
InChIInChI=1S/C10H17NS.C2H6/c1-7(2)4-9(11)10-5-8(3)6-12-10;1-2/h5-7,9H,4,11H2,1-3H3;1-2H3
InChIKeyCHADXRLEBBLPRB-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine (CID 156724928) is ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine is CC.Cc1csc(C(N)CC(C)C)c1.
What is the InChIKey of ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine?
The InChIKey is CHADXRLEBBLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS.C2H6/c1-7(2)4-9(11)10-5-8(3)6-12-10;1-2/h5-7,9H,4,11H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine?
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 156724928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).