N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine

C13H24N2S — CID 79476552

IUPACN'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
SMILESCC(Cc1cccs1)N(C)CCCCCN
InChIInChI=1S/C13H24N2S/c1-12(11-13-7-6-10-16-13)15(2)9-5-3-4-8-14/h6-7,10,12H,3-5,8-9,11,14H2,1-2H3
InChIKeyRCKLZZYLNJUSOB-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.74
Rot. Bonds8

About N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine

N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine (PubChem CID 79476552) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
PubChem CID79476552
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
SMILESCC(Cc1cccs1)N(C)CCCCCN
InChIInChI=1S/C13H24N2S/c1-12(11-13-7-6-10-16-13)15(2)9-5-3-4-8-14/h6-7,10,12H,3-5,8-9,11,14H2,1-2H3
InChIKeyRCKLZZYLNJUSOB-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.74
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'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79487562
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine (CID 79476552) is N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine is CC(Cc1cccs1)N(C)CCCCCN.
What is the InChIKey of N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine?
The InChIKey is RCKLZZYLNJUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-12(11-13-7-6-10-16-13)15(2)9-5-3-4-8-14/h6-7,10,12H,3-5,8-9,11,14H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine?
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 79476552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).