3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol

C15H25BrN2OS — CID 102860107

IUPAC3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
SMILESCCC(N)C(c1ccc(Br)s1)N(CCCO)C1CCC1
InChIInChI=1S/C15H25BrN2OS/c1-2-12(17)15(13-7-8-14(16)20-13)18(9-4-10-19)11-5-3-6-11/h7-8,11-12,15,19H,2-6,9-10,17H2,1H3
InChIKeyCRMOPOLOLYTYJD-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.53
Rot. Bonds8

About 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol

3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol (PubChem CID 102860107) has the molecular formula C15H25BrN2OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
PubChem CID102860107
Molecular FormulaC15H25BrN2OS
Molecular Weight361.35 g/mol
Exact Mass360.09
IUPAC Name3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
SMILESCCC(N)C(c1ccc(Br)s1)N(CCCO)C1CCC1
InChIInChI=1S/C15H25BrN2OS/c1-2-12(17)15(13-7-8-14(16)20-13)18(9-4-10-19)11-5-3-6-11/h7-8,11-12,15,19H,2-6,9-10,17H2,1H3
InChIKeyCRMOPOLOLYTYJD-UHFFFAOYSA-N
XLogP3.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol (CID 102860107) is 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol is CCC(N)C(c1ccc(Br)s1)N(CCCO)C1CCC1.
What is the InChIKey of 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol?
The InChIKey is CRMOPOLOLYTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2OS/c1-2-12(17)15(13-7-8-14(16)20-13)18(9-4-10-19)11-5-3-6-11/h7-8,11-12,15,19H,2-6,9-10,17H2,1H3.
What are the key properties of 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol?
3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol has a molecular weight of 361.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102860107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).