5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine

C18H25N3 — CID 104534905

IUPAC5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
SMILESCCCCN(c1ccccc1)c1cncc(NCCC)c1
InChIInChI=1S/C18H25N3/c1-3-5-12-21(17-9-7-6-8-10-17)18-13-16(14-19-15-18)20-11-4-2/h6-10,13-15,20H,3-5,11-12H2,1-2H3
InChIKeyUUBHWBVXFKBTFV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.84
Rot. Bonds8

About 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine

5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine (PubChem CID 104534905) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
PubChem CID104534905
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
SMILESCCCCN(c1ccccc1)c1cncc(NCCC)c1
InChIInChI=1S/C18H25N3/c1-3-5-12-21(17-9-7-6-8-10-17)18-13-16(14-19-15-18)20-11-4-2/h6-10,13-15,20H,3-5,11-12H2,1-2H3
InChIKeyUUBHWBVXFKBTFV-UHFFFAOYSA-N
XLogP4.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine (CID 104534905) is 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine is CCCCN(c1ccccc1)c1cncc(NCCC)c1.
What is the InChIKey of 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine?
The InChIKey is UUBHWBVXFKBTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-5-12-21(17-9-7-6-8-10-17)18-13-16(14-19-15-18)20-11-4-2/h6-10,13-15,20H,3-5,11-12H2,1-2H3.
What are the key properties of 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine?
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104534905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).