2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine

C14H23N3S — CID 113488450

IUPAC2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2CCSCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17)
InChIKeyWDQCLLRELNVJRG-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.46
Rot. Bonds6

About 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine

2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine (PubChem CID 113488450) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
PubChem CID113488450
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2CCSCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17)
InChIKeyWDQCLLRELNVJRG-UHFFFAOYSA-N
XLogP3.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
6-ethoxy-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 63589706
N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113487776
6-N-(2,3-dimethylcyclopentyl)-2-N-propylpyridine-2,6-diamine
CID 80840395
N-(cyclopropylmethyl)-6-propan-2-ylpyridin-2-amine
CID 153463785
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-propylpyridine-2,6-diamine
CID 107855439
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine (CID 113488450) is 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine is CCCNc1cccc(NCC2CCSCC2)n1.
What is the InChIKey of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The InChIKey is WDQCLLRELNVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17).
What are the key properties of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine has a molecular weight of 265.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 113488450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).