2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine

C15H21N3S — CID 80807390

IUPAC2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
SMILESCCCC(Nc1cccc(NCC)n1)c1cccs1
InChIInChI=1S/C15H21N3S/c1-3-7-12(13-8-6-11-19-13)17-15-10-5-9-14(18-15)16-4-2/h5-6,8-12H,3-4,7H2,1-2H3,(H2,16,17,18)
InChIKeyAMDLKVDOYXRNGX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.53
Rot. Bonds7

About 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine (PubChem CID 80807390) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
PubChem CID80807390
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
SMILESCCCC(Nc1cccc(NCC)n1)c1cccs1
InChIInChI=1S/C15H21N3S/c1-3-7-12(13-8-6-11-19-13)17-15-10-5-9-14(18-15)16-4-2/h5-6,8-12H,3-4,7H2,1-2H3,(H2,16,17,18)
InChIKeyAMDLKVDOYXRNGX-UHFFFAOYSA-N
XLogP4.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine (CID 80807390) is 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine is CCCC(Nc1cccc(NCC)n1)c1cccs1.
What is the InChIKey of 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
The InChIKey is AMDLKVDOYXRNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-7-12(13-8-6-11-19-13)17-15-10-5-9-14(18-15)16-4-2/h5-6,8-12H,3-4,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 80807390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).