1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine

C14H24N2OS — CID 55153693

IUPAC1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(c1cccs1)N1CCCOC(C)C1
InChIInChI=1S/C14H24N2OS/c1-3-12(15)14(13-6-4-9-18-13)16-7-5-8-17-11(2)10-16/h4,6,9,11-12,14H,3,5,7-8,10,15H2,1-2H3
InChIKeyVTAJXHXILRWGTP-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine

1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 55153693) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine
PubChem CID55153693
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(c1cccs1)N1CCCOC(C)C1
InChIInChI=1S/C14H24N2OS/c1-3-12(15)14(13-6-4-9-18-13)16-7-5-8-17-11(2)10-16/h4,6,9,11-12,14H,3,5,7-8,10,15H2,1-2H3
InChIKeyVTAJXHXILRWGTP-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine (CID 55153693) is 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(c1cccs1)N1CCCOC(C)C1.
What is the InChIKey of 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is VTAJXHXILRWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-12(15)14(13-6-4-9-18-13)16-7-5-8-17-11(2)10-16/h4,6,9,11-12,14H,3,5,7-8,10,15H2,1-2H3.
What are the key properties of 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine?
1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,4-oxazepan-4-yl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55153693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).