2,2-dimethyl-1-thiophen-2-ylpropan-1-amine

C9H15NS — CID 20772539

IUPAC2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)(C)C(N)c1cccs1
InChIInChI=1S/C9H15NS/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKeyVIDGALYHKGLIBL-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.79
Rot. Bonds1

About 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine

2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 20772539) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
PubChem CID20772539
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)(C)C(N)c1cccs1
InChIInChI=1S/C9H15NS/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKeyVIDGALYHKGLIBL-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiophen-2-yl)propan-2-amine hydrochloride
CID 12280954
[1-(Thiophen-2-yl)cyclohexyl]methanamine
CID 16494915
1-(2-Thienyl)-1-aminoethane
CID 238233
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573
2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240
(1-(Thiophen-2-yl)cyclopentyl)methanamine
CID 16495144
(5-Methylthiophen-2-yl)methanamine
CID 4313442
2-(2-Aminopropyl)thiophene
CID 6484133
2-(Thiophen-2-yl)propan-2-amine
CID 45099
(3-Methylthiophen-2-yl)methanamine
CID 2798756
(4-Methylthiophen-2-yl)methanamine
CID 2795528

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (CID 20772539) is 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is CC(C)(C)C(N)c1cccs1.
What is the InChIKey of 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is VIDGALYHKGLIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
2,2-dimethyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 20772539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).