1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine

C11H20N2S — CID 115205209

IUPAC1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
SMILESCN(CCCC(C)(C)N)c1cccs1
InChIInChI=1S/C11H20N2S/c1-11(2,12)7-5-8-13(3)10-6-4-9-14-10/h4,6,9H,5,7-8,12H2,1-3H3
InChIKeyXLRLRHMJOOUWFR-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.70
Rot. Bonds5

About 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine

1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine (PubChem CID 115205209) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
PubChem CID115205209
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
SMILESCN(CCCC(C)(C)N)c1cccs1
InChIInChI=1S/C11H20N2S/c1-11(2,12)7-5-8-13(3)10-6-4-9-14-10/h4,6,9H,5,7-8,12H2,1-3H3
InChIKeyXLRLRHMJOOUWFR-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine
CID 114396440
N-(3-fluoroprop-2-enyl)-N-methylthiophen-2-amine
CID 174259551
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
CID 65295773
N-methyl-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238898
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine (CID 115205209) is 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine is CN(CCCC(C)(C)N)c1cccs1.
What is the InChIKey of 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine?
The InChIKey is XLRLRHMJOOUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(2,12)7-5-8-13(3)10-6-4-9-14-10/h4,6,9H,5,7-8,12H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine?
1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine is sourced from PubChem (CID 115205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).