4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol

C15H25NOS — CID 114459269

IUPAC4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
SMILESNCC(c1cccs1)C(O)CC1CCCCCC1
InChIInChI=1S/C15H25NOS/c16-11-13(15-8-5-9-18-15)14(17)10-12-6-3-1-2-4-7-12/h5,8-9,12-14,17H,1-4,6-7,10-11,16H2
InChIKeyYQKLEQUSUAZFIZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.51
Rot. Bonds5

About 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol

4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol (PubChem CID 114459269) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
PubChem CID114459269
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
SMILESNCC(c1cccs1)C(O)CC1CCCCCC1
InChIInChI=1S/C15H25NOS/c16-11-13(15-8-5-9-18-15)14(17)10-12-6-3-1-2-4-7-12/h5,8-9,12-14,17H,1-4,6-7,10-11,16H2
InChIKeyYQKLEQUSUAZFIZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol (CID 114459269) is 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol is NCC(c1cccs1)C(O)CC1CCCCCC1.
What is the InChIKey of 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol?
The InChIKey is YQKLEQUSUAZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c16-11-13(15-8-5-9-18-15)14(17)10-12-6-3-1-2-4-7-12/h5,8-9,12-14,17H,1-4,6-7,10-11,16H2.
What are the key properties of 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol?
4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 114459269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).