2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine

C13H23NS — CID 115655098

IUPAC2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
SMILESCC(CNCC(C)(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-11(8-12-6-5-7-15-12)9-14-10-13(2,3)4/h5-7,11,14H,8-10H2,1-4H3
InChIKeyHJWGERBFKUXGRE-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.56
Rot. Bonds5

About 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine

2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine (PubChem CID 115655098) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
PubChem CID115655098
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
SMILESCC(CNCC(C)(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-11(8-12-6-5-7-15-12)9-14-10-13(2,3)4/h5-7,11,14H,8-10H2,1-4H3
InChIKeyHJWGERBFKUXGRE-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
6-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483564
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine (CID 115655098) is 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine is CC(CNCC(C)(C)C)Cc1cccs1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine?
The InChIKey is HJWGERBFKUXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-11(8-12-6-5-7-15-12)9-14-10-13(2,3)4/h5-7,11,14H,8-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine?
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine is sourced from PubChem (CID 115655098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).