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

C13H23NS — CID 61166031

IUPAC2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
SMILESCC(C)C(NCC(C)(C)C)c1cccs1
InChIInChI=1S/C13H23NS/c1-10(2)12(11-7-6-8-15-11)14-9-13(3,4)5/h6-8,10,12,14H,9H2,1-5H3
InChIKeyHALCLEHCTZTVDQ-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.08
Rot. Bonds4

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

2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine (PubChem CID 61166031) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
PubChem CID61166031
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
SMILESCC(C)C(NCC(C)(C)C)c1cccs1
InChIInChI=1S/C13H23NS/c1-10(2)12(11-7-6-8-15-11)14-9-13(3,4)5/h6-8,10,12,14H,9H2,1-5H3
InChIKeyHALCLEHCTZTVDQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730
methyl 2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 113436506
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
CID 77062817
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine (CID 61166031) is 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine is CC(C)C(NCC(C)(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine?
The InChIKey is HALCLEHCTZTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10(2)12(11-7-6-8-15-11)14-9-13(3,4)5/h6-8,10,12,14H,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine?
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.08, 4 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-1-thiophen-2-ylpropyl)propan-1-amine is sourced from PubChem (CID 61166031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).