N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C13H24N2S — CID 62560031

IUPACN'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3
InChIKeySHVDLWDHMJGNQT-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.96
Rot. Bonds9

About N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62560031) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62560031
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3
InChIKeySHVDLWDHMJGNQT-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62560031) is N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCCCCNCCN(C)Cc1cccs1.
What is the InChIKey of N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SHVDLWDHMJGNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3.
What are the key properties of N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).