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

C15H28N2S — CID 83055013

IUPAC2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)C(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-8-14(12-16-10-6-2)17(4)13(3)15-9-7-11-18-15/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3
InChIKeyOIAIBQWBNUTCQL-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.91
Rot. Bonds9

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

2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine (PubChem CID 83055013) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
PubChem CID83055013
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)C(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-8-14(12-16-10-6-2)17(4)13(3)15-9-7-11-18-15/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3
InChIKeyOIAIBQWBNUTCQL-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.91
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-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
CID 62431010
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine (CID 83055013) is 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine is CCCNCC(CCC)N(C)C(C)c1cccs1.
What is the InChIKey of 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine?
The InChIKey is OIAIBQWBNUTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-8-14(12-16-10-6-2)17(4)13(3)15-9-7-11-18-15/h7,9,11,13-14,16H,5-6,8,10,12H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine?
2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 83055013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).