1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol

C10H18N2OS — CID 66386017

IUPAC1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-3-10(2,13)7-12-6-9-8(11)4-5-14-9/h4-5,12-13H,3,6-7,11H2,1-2H3
InChIKeyAVLLIMBLLOQSDW-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.58
Rot. Bonds5

About 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol

1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 66386017) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol
PubChem CID66386017
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-3-10(2,13)7-12-6-9-8(11)4-5-14-9/h4-5,12-13H,3,6-7,11H2,1-2H3
InChIKeyAVLLIMBLLOQSDW-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol (CID 66386017) is 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1sccc1N.
What is the InChIKey of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is AVLLIMBLLOQSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-10(2,13)7-12-6-9-8(11)4-5-14-9/h4-5,12-13H,3,6-7,11H2,1-2H3.
What are the key properties of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol?
1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 66386017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).