3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine

C11H21NS — CID 170867123

IUPAC3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine
SMILESCC1=CC(CCCN(C)C)C(C)S1
InChIInChI=1S/C11H21NS/c1-9-8-11(10(2)13-9)6-5-7-12(3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyBVAARTTVRAUKBI-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.98
Rot. Bonds4

About 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine

3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170867123) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID170867123
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine
SMILESCC1=CC(CCCN(C)C)C(C)S1
InChIInChI=1S/C11H21NS/c1-9-8-11(10(2)13-9)6-5-7-12(3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyBVAARTTVRAUKBI-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21575946
N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
CID 57124125
1-methyl-4-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]azepane
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1-[(6-Methylsulfanylcyclohex-2-en-1-yl)methyl]pyrrolidine
CID 141779458
N-methyl-N-[(4-methylsulfanylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 168971293
N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine
CID 170193414
2-(3,7-dimethyloct-6-enylsulfanyl)-N,N-dimethylethanamine
CID 110180527
2-(3,7-dimethyloct-6-enylsulfanyl)-N,N-diethylethanamine
CID 117060212
3-(2,5-Dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
CID 170868150

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine (CID 170867123) is 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine is CC1=CC(CCCN(C)C)C(C)S1.
What is the InChIKey of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is BVAARTTVRAUKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-8-11(10(2)13-9)6-5-7-12(3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine?
3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).