2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine

C10H17NS — CID 21304833

IUPAC2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1cccs1
InChIInChI=1S/C10H17NS/c1-10(2,3)8-11-7-9-5-4-6-12-9/h4-6,11H,7-8H2,1-3H3
InChIKeyMQBKBSHOTKEIGK-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.88
Rot. Bonds3

About 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine

2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 21304833) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID21304833
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1cccs1
InChIInChI=1S/C10H17NS/c1-10(2,3)8-11-7-9-5-4-6-12-9/h4-6,11H,7-8H2,1-3H3
InChIKeyMQBKBSHOTKEIGK-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115363553
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
4-[(thiophen-2-ylmethylamino)methyl]heptan-4-ol
CID 111436964
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
2-methyl-2-piperidin-3-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83199653
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 21304833) is 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(C)(C)CNCc1cccs1.
What is the InChIKey of 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is MQBKBSHOTKEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(2,3)8-11-7-9-5-4-6-12-9/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine?
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 21304833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).