1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine

C12H22N2S — CID 63774544

IUPAC1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCCc1cccs1
InChIInChI=1S/C12H22N2S/c1-11(7-9-14(2)3)13-8-6-12-5-4-10-15-12/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyJUFVAQYFMAOPJL-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.22
Rot. Bonds7

About 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine (PubChem CID 63774544) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
PubChem CID63774544
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCCc1cccs1
InChIInChI=1S/C12H22N2S/c1-11(7-9-14(2)3)13-8-6-12-5-4-10-15-12/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyJUFVAQYFMAOPJL-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560212
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine (CID 63774544) is 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine is CC(CCN(C)C)NCCc1cccs1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The InChIKey is JUFVAQYFMAOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(7-9-14(2)3)13-8-6-12-5-4-10-15-12/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.22, 7 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-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 63774544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).