1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine

C15H28N2S — CID 79087726

IUPAC1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
SMILESCCNC(CCc1cccs1)CCN(CC)CC
InChIInChI=1S/C15H28N2S/c1-4-16-14(11-12-17(5-2)6-3)9-10-15-8-7-13-18-15/h7-8,13-14,16H,4-6,9-12H2,1-3H3
InChIKeyYKJFXNAQFAHEAO-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.39
Rot. Bonds10

About 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine

1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine (PubChem CID 79087726) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
PubChem CID79087726
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
SMILESCCNC(CCc1cccs1)CCN(CC)CC
InChIInChI=1S/C15H28N2S/c1-4-16-14(11-12-17(5-2)6-3)9-10-15-8-7-13-18-15/h7-8,13-14,16H,4-6,9-12H2,1-3H3
InChIKeyYKJFXNAQFAHEAO-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
CID 79086954

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine (CID 79087726) is 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine is CCNC(CCc1cccs1)CCN(CC)CC.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine?
The InChIKey is YKJFXNAQFAHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-16-14(11-12-17(5-2)6-3)9-10-15-8-7-13-18-15/h7-8,13-14,16H,4-6,9-12H2,1-3H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine?
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine is sourced from PubChem (CID 79087726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).