2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C15H28N2S — CID 62568180

IUPAC2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-14(6-2)16-11-13(4)17(7-3)12-15-9-8-10-18-15/h8-10,13-14,16H,5-7,11-12H2,1-4H3
InChIKeyFPQMNNJXKMQYLF-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.74
Rot. Bonds9

About 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62568180) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62568180
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-14(6-2)16-11-13(4)17(7-3)12-15-9-8-10-18-15/h8-10,13-14,16H,5-7,11-12H2,1-4H3
InChIKeyFPQMNNJXKMQYLF-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
CID 61436724
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226198
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8718457
1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62568180) is 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCC(CC)NCC(C)N(CC)Cc1cccs1.
What is the InChIKey of 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is FPQMNNJXKMQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-14(6-2)16-11-13(4)17(7-3)12-15-9-8-10-18-15/h8-10,13-14,16H,5-7,11-12H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62568180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).