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

C15H28N2S — CID 43193468

IUPAC1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-17(6-2)11-7-9-13(3)16-14(4)15-10-8-12-18-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3
InChIKeyAZRGCNDXGCSYCE-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.91
Rot. Bonds9

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

1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine (PubChem CID 43193468) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
PubChem CID43193468
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-17(6-2)11-7-9-13(3)16-14(4)15-10-8-12-18-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3
InChIKeyAZRGCNDXGCSYCE-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

Analyze 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 110998601
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
CID 43193475
2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine (CID 43193468) is 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)c1cccs1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine?
The InChIKey is AZRGCNDXGCSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-17(6-2)11-7-9-13(3)16-14(4)15-10-8-12-18-15/h8,10,12-14,16H,5-7,9,11H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-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 1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine is sourced from PubChem (CID 43193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).