3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol

C11H20N2OS — CID 66386215

IUPAC3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8,12H2,1-2H3
InChIKeyANLMOCBKKLOUMJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.97
Rot. Bonds6

About 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol

3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 66386215) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID66386215
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8,12H2,1-2H3
InChIKeyANLMOCBKKLOUMJ-UHFFFAOYSA-N
XLogP1.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol (CID 66386215) is 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1sccc1N.
What is the InChIKey of 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is ANLMOCBKKLOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8,12H2,1-2H3.
What are the key properties of 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 228.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminothiophen-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 66386215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).