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

C12H22N2S — CID 61386692

IUPACN'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCCNCCCN(C)Cc1ccsc1
InChIInChI=1S/C12H22N2S/c1-3-6-13-7-4-8-14(2)10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3
InChIKeyNOOFDZXREKGOFQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.57
Rot. Bonds8

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

N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 61386692) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID61386692
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCCNCCCN(C)Cc1ccsc1
InChIInChI=1S/C12H22N2S/c1-3-6-13-7-4-8-14(2)10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3
InChIKeyNOOFDZXREKGOFQ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.57
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

6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
N'-methyl-N-prop-2-ynyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560587
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 61386692) is N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CCCNCCCN(C)Cc1ccsc1.
What is the InChIKey of N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is NOOFDZXREKGOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-6-13-7-4-8-14(2)10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3.
What are the key properties of N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.57, 8 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'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61386692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).