2-[(tert-butylamino)methyl]thiophen-3-amine

C9H16N2S — CID 66385692

IUPAC2-[(tert-butylamino)methyl]thiophen-3-amine
SMILESCC(C)(C)NCc1sccc1N
InChIInChI=1S/C9H16N2S/c1-9(2,3)11-6-8-7(10)4-5-12-8/h4-5,11H,6,10H2,1-3H3
InChIKeySNCFBEKEZJLHAI-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.22
Rot. Bonds2

About 2-[(tert-butylamino)methyl]thiophen-3-amine

2-[(tert-butylamino)methyl]thiophen-3-amine (PubChem CID 66385692) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]thiophen-3-amine
PubChem CID66385692
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-[(tert-butylamino)methyl]thiophen-3-amine
SMILESCC(C)(C)NCc1sccc1N
InChIInChI=1S/C9H16N2S/c1-9(2,3)11-6-8-7(10)4-5-12-8/h4-5,11H,6,10H2,1-3H3
InChIKeySNCFBEKEZJLHAI-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]thiophen-3-amine (CID 66385692) is 2-[(tert-butylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]thiophen-3-amine is CC(C)(C)NCc1sccc1N.
What is the InChIKey of 2-[(tert-butylamino)methyl]thiophen-3-amine?
The InChIKey is SNCFBEKEZJLHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)11-6-8-7(10)4-5-12-8/h4-5,11H,6,10H2,1-3H3.
What are the key properties of 2-[(tert-butylamino)methyl]thiophen-3-amine?
2-[(tert-butylamino)methyl]thiophen-3-amine has a molecular weight of 184.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).