2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol

C11H19NOS — CID 65185797

IUPAC2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCc1ccsc1C(O)C(CN)C(C)C
InChIInChI=1S/C11H19NOS/c1-7(2)9(6-12)10(13)11-8(3)4-5-14-11/h4-5,7,9-10,13H,6,12H2,1-3H3
InChIKeyDDSMFKUBYGKNOA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.32
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol

2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol (PubChem CID 65185797) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
PubChem CID65185797
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCc1ccsc1C(O)C(CN)C(C)C
InChIInChI=1S/C11H19NOS/c1-7(2)9(6-12)10(13)11-8(3)4-5-14-11/h4-5,7,9-10,13H,6,12H2,1-3H3
InChIKeyDDSMFKUBYGKNOA-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol (CID 65185797) is 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol is Cc1ccsc1C(O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The InChIKey is DDSMFKUBYGKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(2)9(6-12)10(13)11-8(3)4-5-14-11/h4-5,7,9-10,13H,6,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 65185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).