4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine

C16H30N2S — CID 79494469

IUPAC4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(C)CCc1cccs1
InChIInChI=1S/C16H30N2S/c1-14(2)13-17-10-5-7-15(3)18(4)11-9-16-8-6-12-19-16/h6,8,12,14-15,17H,5,7,9-11,13H2,1-4H3
InChIKeyJGFQJXASZHFNKZ-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.64
Rot. Bonds10

About 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine

4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine (PubChem CID 79494469) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
PubChem CID79494469
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
SMILESCC(C)CNCCCC(C)N(C)CCc1cccs1
InChIInChI=1S/C16H30N2S/c1-14(2)13-17-10-5-7-15(3)18(4)11-9-16-8-6-12-19-16/h6,8,12,14-15,17H,5,7,9-11,13H2,1-4H3
InChIKeyJGFQJXASZHFNKZ-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.64
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

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine (CID 79494469) is 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine is CC(C)CNCCCC(C)N(C)CCc1cccs1.
What is the InChIKey of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine?
The InChIKey is JGFQJXASZHFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-14(2)13-17-10-5-7-15(3)18(4)11-9-16-8-6-12-19-16/h6,8,12,14-15,17H,5,7,9-11,13H2,1-4H3.
What are the key properties of 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine?
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine has a molecular weight of 282.50 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine is sourced from PubChem (CID 79494469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).