3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine

C15H26N4 — CID 105255255

IUPAC3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(NN)C2CCCCCCC2)c1
InChIInChI=1S/C15H26N4/c1-11-9-13(15(16)18-10-11)14(19-17)12-7-5-3-2-4-6-8-12/h9-10,12,14,19H,2-8,17H2,1H3,(H2,16,18)
InChIKeyCQVBNKCSWCMRON-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds3

About 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine

3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine (PubChem CID 105255255) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
PubChem CID105255255
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(NN)C2CCCCCCC2)c1
InChIInChI=1S/C15H26N4/c1-11-9-13(15(16)18-10-11)14(19-17)12-7-5-3-2-4-6-8-12/h9-10,12,14,19H,2-8,17H2,1H3,(H2,16,18)
InChIKeyCQVBNKCSWCMRON-UHFFFAOYSA-N
XLogP2.84
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine (CID 105255255) is 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(NN)C2CCCCCCC2)c1.
What is the InChIKey of 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is CQVBNKCSWCMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11-9-13(15(16)18-10-11)14(19-17)12-7-5-3-2-4-6-8-12/h9-10,12,14,19H,2-8,17H2,1H3,(H2,16,18).
What are the key properties of 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine?
3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105255255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).