1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine

C11H20N2S — CID 115346068

IUPAC1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
SMILESCN(C)CCC(N)CCc1cccs1
InChIInChI=1S/C11H20N2S/c1-13(2)8-7-10(12)5-6-11-4-3-9-14-11/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyUYHUBOOYUMWSIX-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.96
Rot. Bonds6

About 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine

1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine (PubChem CID 115346068) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
PubChem CID115346068
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
SMILESCN(C)CCC(N)CCc1cccs1
InChIInChI=1S/C11H20N2S/c1-13(2)8-7-10(12)5-6-11-4-3-9-14-11/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyUYHUBOOYUMWSIX-UHFFFAOYSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
7-thiophen-2-ylheptan-3-amine
CID 64505571
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine (CID 115346068) is 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine is CN(C)CCC(N)CCc1cccs1.
What is the InChIKey of 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine?
The InChIKey is UYHUBOOYUMWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-13(2)8-7-10(12)5-6-11-4-3-9-14-11/h3-4,9-10H,5-8,12H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine?
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine is sourced from PubChem (CID 115346068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).