3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine

C11H17Cl2N3 — CID 102757808

IUPAC3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
SMILESCCCCC(C)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-3-4-5-7(2)15-11-9(13)6-8(12)10(14)16-11/h6-7H,3-5H2,1-2H3,(H3,14,15,16)
InChIKeyBSUPDQZMEPCJFA-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.96
Rot. Bonds5

About 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine

3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine (PubChem CID 102757808) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
PubChem CID102757808
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
SMILESCCCCC(C)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-3-4-5-7(2)15-11-9(13)6-8(12)10(14)16-11/h6-7H,3-5H2,1-2H3,(H3,14,15,16)
InChIKeyBSUPDQZMEPCJFA-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
CID 102759905
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
2-chloro-4-N-hexan-2-yl-5-methylbenzene-1,4-diamine
CID 115554851
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
CID 81037998
3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
CID 102757090
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102761814
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine (CID 102757808) is 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine is CCCCC(C)Nc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine?
The InChIKey is BSUPDQZMEPCJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3/c1-3-4-5-7(2)15-11-9(13)6-8(12)10(14)16-11/h6-7H,3-5H2,1-2H3,(H3,14,15,16).
What are the key properties of 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine?
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine has a molecular weight of 262.18 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 102757808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).