N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

C13H24N2S — CID 79486499

IUPACN'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCNCCCN(C)CCc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-8-14-9-5-10-15(2)11-7-13-6-4-12-16-13/h4,6,12,14H,3,5,7-11H2,1-2H3
InChIKeyVYYBKSFWALGXRT-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.61
Rot. Bonds9

About N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 79486499) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID79486499
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCNCCCN(C)CCc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-8-14-9-5-10-15(2)11-7-13-6-4-12-16-13/h4,6,12,14H,3,5,7-11H2,1-2H3
InChIKeyVYYBKSFWALGXRT-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.61
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'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494017
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine (CID 79486499) is N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine is CCCNCCCN(C)CCc1cccs1.
What is the InChIKey of N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is VYYBKSFWALGXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-8-14-9-5-10-15(2)11-7-13-6-4-12-16-13/h4,6,12,14H,3,5,7-11H2,1-2H3.
What are the key properties of N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 79486499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).