4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine

C15H28N2S — CID 62462942

IUPAC4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
SMILESCCCNCCCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-4-10-16-11-6-8-14(3)17(5-2)13-15-9-7-12-18-15/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyCHPNMLGJEWSPBL-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.74
Rot. Bonds10

About 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine

4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine (PubChem CID 62462942) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
PubChem CID62462942
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
SMILESCCCNCCCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-4-10-16-11-6-8-14(3)17(5-2)13-15-9-7-12-18-15/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyCHPNMLGJEWSPBL-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.74
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

1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568180
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
CID 61436724
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine (CID 62462942) is 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine is CCCNCCCC(C)N(CC)Cc1cccs1.
What is the InChIKey of 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine?
The InChIKey is CHPNMLGJEWSPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-10-16-11-6-8-14(3)17(5-2)13-15-9-7-12-18-15/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3.
What are the key properties of 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine?
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 62462942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).