6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine

C15H23Cl2N3 — CID 102756727

IUPAC6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
SMILESCCCCN(c1nc(NCCC)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H23Cl2N3/c1-3-5-9-20(11-6-7-11)15-13(17)10-12(16)14(19-15)18-8-4-2/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyGNMPTNXZBFAIMN-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.98
Rot. Bonds8

About 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine

6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine (PubChem CID 102756727) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
PubChem CID102756727
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
SMILESCCCCN(c1nc(NCCC)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H23Cl2N3/c1-3-5-9-20(11-6-7-11)15-13(17)10-12(16)14(19-15)18-8-4-2/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyGNMPTNXZBFAIMN-UHFFFAOYSA-N
XLogP4.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine (CID 102756727) is 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine is CCCCN(c1nc(NCCC)c(Cl)cc1Cl)C1CC1.
What is the InChIKey of 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is GNMPTNXZBFAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-3-5-9-20(11-6-7-11)15-13(17)10-12(16)14(19-15)18-8-4-2/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine?
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 316.28 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102756727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).