2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine

C10H18N2S — CID 66385986

IUPAC2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine
SMILESCC(C)(C)CNCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-10(2,3)7-12-6-9-8(11)4-5-13-9/h4-5,12H,6-7,11H2,1-3H3
InChIKeyXNJBFCPTRNVNPP-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.47
Rot. Bonds3

About 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine

2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine (PubChem CID 66385986) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine
PubChem CID66385986
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine
SMILESCC(C)(C)CNCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-10(2,3)7-12-6-9-8(11)4-5-13-9/h4-5,12H,6-7,11H2,1-3H3
InChIKeyXNJBFCPTRNVNPP-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine (CID 66385986) is 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine is CC(C)(C)CNCc1sccc1N.
What is the InChIKey of 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine?
The InChIKey is XNJBFCPTRNVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-10(2,3)7-12-6-9-8(11)4-5-13-9/h4-5,12H,6-7,11H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine?
2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine has a molecular weight of 198.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpropylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).