N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

C9H15NS — CID 546929

IUPACN,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCCc1cccs1
InChIInChI=1S/C9H15NS/c1-10(2)7-3-5-9-6-4-8-11-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGYVRJKAGZONKTB-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.24
Rot. Bonds4

About N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 546929) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID546929
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCCc1cccs1
InChIInChI=1S/C9H15NS/c1-10(2)7-3-5-9-6-4-8-11-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGYVRJKAGZONKTB-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Thiopheneethanamine
CID 116521
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
3-(Thiophen-2-yl)propan-1-amine
CID 40835
Dipropyl-((1S,2S)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10609150
Dipropyl-((1R,2R)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10632876
(2S)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 44456408
(2R)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 44456409
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride
CID 118733555
1-(2-Thiophen-2-ylethyl)pyrrolidine
CID 44456407
1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
CID 133448

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (CID 546929) is N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is CN(C)CCCc1cccs1.
What is the InChIKey of N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is GYVRJKAGZONKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-10(2)7-3-5-9-6-4-8-11-9/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
N,N-dimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 546929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).