1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine

C16H20Cl2N4 — CID 18365459

IUPAC1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
SMILESNC(CCC(N)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C16H20Cl2N4/c17-15-5-1-11(9-21-15)7-13(19)3-4-14(20)8-12-2-6-16(18)22-10-12/h1-2,5-6,9-10,13-14H,3-4,7-8,19-20H2
InChIKeyRHZLHIOTVRPMOG-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.00
Rot. Bonds7

About 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine

1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine (PubChem CID 18365459) has the molecular formula C16H20Cl2N4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine.

Molecular Properties

Compound Name1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
PubChem CID18365459
Molecular FormulaC16H20Cl2N4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
SMILESNC(CCC(N)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C16H20Cl2N4/c17-15-5-1-11(9-21-15)7-13(19)3-4-14(20)8-12-2-6-16(18)22-10-12/h1-2,5-6,9-10,13-14H,3-4,7-8,19-20H2
InChIKeyRHZLHIOTVRPMOG-UHFFFAOYSA-N
XLogP3.00
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
CID 170892799
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
2-chloro-5-(iodomethyl)pyridine
CID 11149463
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine?
The IUPAC name of 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine (CID 18365459) is 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine.
What is the SMILES notation for 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine?
The canonical SMILES for 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine is NC(CCC(N)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1.
What is the InChIKey of 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine?
The InChIKey is RHZLHIOTVRPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4/c17-15-5-1-11(9-21-15)7-13(19)3-4-14(20)8-12-2-6-16(18)22-10-12/h1-2,5-6,9-10,13-14H,3-4,7-8,19-20H2.
What are the key properties of 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine?
1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine has a molecular weight of 339.27 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine is sourced from PubChem (CID 18365459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).