6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine

C15H26N4 — CID 80648183

IUPAC6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
SMILESCN(CCCNc1cccc(N)n1)C1CCCCC1
InChIInChI=1S/C15H26N4/c1-19(13-7-3-2-4-8-13)12-6-11-17-15-10-5-9-14(16)18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H3,16,17,18)
InChIKeyORNBXHLRLMDCTL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds6

About 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine

6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine (PubChem CID 80648183) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
PubChem CID80648183
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
SMILESCN(CCCNc1cccc(N)n1)C1CCCCC1
InChIInChI=1S/C15H26N4/c1-19(13-7-3-2-4-8-13)12-6-11-17-15-10-5-9-14(16)18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H3,16,17,18)
InChIKeyORNBXHLRLMDCTL-UHFFFAOYSA-N
XLogP2.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine (CID 80648183) is 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine is CN(CCCNc1cccc(N)n1)C1CCCCC1.
What is the InChIKey of 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine?
The InChIKey is ORNBXHLRLMDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19(13-7-3-2-4-8-13)12-6-11-17-15-10-5-9-14(16)18-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H3,16,17,18).
What are the key properties of 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine?
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine is sourced from PubChem (CID 80648183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).