N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine

C13H24N2S — CID 62431531

IUPACN,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C(C)c1cccs1
InChIInChI=1S/C13H24N2S/c1-12(13-8-7-11-16-13)15(3)10-6-4-5-9-14-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyDYIBCLOYCNOZLW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.13
Rot. Bonds8

About N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine

N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine (PubChem CID 62431531) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
PubChem CID62431531
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C(C)c1cccs1
InChIInChI=1S/C13H24N2S/c1-12(13-8-7-11-16-13)15(3)10-6-4-5-9-14-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyDYIBCLOYCNOZLW-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.13
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-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
CID 65295773
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine (CID 62431531) is N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine is CNCCCCCN(C)C(C)c1cccs1.
What is the InChIKey of N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine?
The InChIKey is DYIBCLOYCNOZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-12(13-8-7-11-16-13)15(3)10-6-4-5-9-14-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine?
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine is sourced from PubChem (CID 62431531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).