3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine

C11H17Cl2N3 — CID 102758112

IUPAC3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
SMILESCC(C)CCCNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-7(2)4-3-5-15-11-9(13)6-8(12)10(14)16-11/h6-7H,3-5H2,1-2H3,(H3,14,15,16)
InChIKeyGLBLUWWPCMISHL-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.82
Rot. Bonds5

About 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine (PubChem CID 102758112) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
PubChem CID102758112
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
SMILESCC(C)CCCNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-7(2)4-3-5-15-11-9(13)6-8(12)10(14)16-11/h6-7H,3-5H2,1-2H3,(H3,14,15,16)
InChIKeyGLBLUWWPCMISHL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 102759699
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
CID 102757090
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 114133461
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 102756813

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine (CID 102758112) is 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine is CC(C)CCCNc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine?
The InChIKey is GLBLUWWPCMISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3/c1-7(2)4-3-5-15-11-9(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-(4-methylpentyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine has a molecular weight of 262.18 g/mol, XLogP of 3.82, 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-(4-methylpentyl)pyridine-2,6-diamine is sourced from PubChem (CID 102758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).