N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine

C9H16N2S — CID 115201070

IUPACN'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
SMILESCN(CCCCN)c1cccs1
InChIInChI=1S/C9H16N2S/c1-11(7-3-2-6-10)9-5-4-8-12-9/h4-5,8H,2-3,6-7,10H2,1H3
InChIKeyXGCCGDJRVYFKRK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.92
Rot. Bonds5

About N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine

N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine (PubChem CID 115201070) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
PubChem CID115201070
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
SMILESCN(CCCCN)c1cccs1
InChIInChI=1S/C9H16N2S/c1-11(7-3-2-6-10)9-5-4-8-12-9/h4-5,8H,2-3,6-7,10H2,1H3
InChIKeyXGCCGDJRVYFKRK-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
CID 115205209
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N'-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 107207013
N-(3-fluoroprop-2-enyl)-N-methylthiophen-2-amine
CID 174259551
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine (CID 115201070) is N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine is CN(CCCCN)c1cccs1.
What is the InChIKey of N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine?
The InChIKey is XGCCGDJRVYFKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-11(7-3-2-6-10)9-5-4-8-12-9/h4-5,8H,2-3,6-7,10H2,1H3.
What are the key properties of N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine?
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine is sourced from PubChem (CID 115201070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).