5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine

C15H27N3 — CID 113423883

IUPAC5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
SMILESCCCCN(c1cncc(NCC)c1)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-8-9-18(13(4)6-2)15-10-14(17-7-3)11-16-12-15/h10-13,17H,5-9H2,1-4H3
InChIKeyURWSMWCEDRQZLI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.92
Rot. Bonds8

About 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine

5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine (PubChem CID 113423883) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
PubChem CID113423883
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
SMILESCCCCN(c1cncc(NCC)c1)C(C)CC
InChIInChI=1S/C15H27N3/c1-5-8-9-18(13(4)6-2)15-10-14(17-7-3)11-16-12-15/h10-13,17H,5-9H2,1-4H3
InChIKeyURWSMWCEDRQZLI-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol
CID 104533367
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
CID 113423873
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934873
3-N-methyl-5-N-propan-2-yl-5-N-propylpyridine-3,5-diamine
CID 104532814
2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine
CID 80647917
5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
CID 104534905
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine (CID 113423883) is 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine is CCCCN(c1cncc(NCC)c1)C(C)CC.
What is the InChIKey of 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The InChIKey is URWSMWCEDRQZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-9-18(13(4)6-2)15-10-14(17-7-3)11-16-12-15/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine?
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 113423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).