(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine

C15H31N3 — CID 105241403

IUPAC(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine
SMILESC=C(CC)CC(NN)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H31N3/c1-5-13(3)12-14(17-16)15(4,6-2)18-10-8-7-9-11-18/h14,17H,3,5-12,16H2,1-2,4H3
InChIKeyBYBMYUXBVATCBD-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.83
Rot. Bonds7

About (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine

(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine (PubChem CID 105241403) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine
PubChem CID105241403
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine
SMILESC=C(CC)CC(NN)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H31N3/c1-5-13(3)12-14(17-16)15(4,6-2)18-10-8-7-9-11-18/h14,17H,3,5-12,16H2,1-2,4H3
InChIKeyBYBMYUXBVATCBD-UHFFFAOYSA-N
XLogP2.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine?
The IUPAC name of (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine (CID 105241403) is (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine.
What is the SMILES notation for (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine?
The canonical SMILES for (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine is C=C(CC)CC(NN)C(C)(CC)N1CCCCC1.
What is the InChIKey of (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine?
The InChIKey is BYBMYUXBVATCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-13(3)12-14(17-16)15(4,6-2)18-10-8-7-9-11-18/h14,17H,3,5-12,16H2,1-2,4H3.
What are the key properties of (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine?
(3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine has a molecular weight of 253.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-methylidene-3-piperidin-1-yloctan-4-yl)hydrazine is sourced from PubChem (CID 105241403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).