(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane

C13H23N2P — CID 129274909

IUPAC(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane
SMILESCC1N=NC(P)C2=C1CCCCCCCC2
InChIInChI=1S/C13H23N2P/c1-10-11-8-6-4-2-3-5-7-9-12(11)13(16)15-14-10/h10,13H,2-9,16H2,1H3
InChIKeyVFHFUYVQECRJHR-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.47
Rot. Bonds

About (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane

(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane (PubChem CID 129274909) has the molecular formula C13H23N2P and a molecular weight of 238.31 g/mol. Its IUPAC name is (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane.

Molecular Properties

Compound Name(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane
PubChem CID129274909
Molecular FormulaC13H23N2P
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane
SMILESCC1N=NC(P)C2=C1CCCCCCCC2
InChIInChI=1S/C13H23N2P/c1-10-11-8-6-4-2-3-5-7-9-12(11)13(16)15-14-10/h10,13H,2-9,16H2,1H3
InChIKeyVFHFUYVQECRJHR-UHFFFAOYSA-N
XLogP4.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane?
The IUPAC name of (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane (CID 129274909) is (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane.
What is the SMILES notation for (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane?
The canonical SMILES for (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane is CC1N=NC(P)C2=C1CCCCCCCC2.
What is the InChIKey of (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane?
The InChIKey is VFHFUYVQECRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2P/c1-10-11-8-6-4-2-3-5-7-9-12(11)13(16)15-14-10/h10,13H,2-9,16H2,1H3.
What are the key properties of (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane?
(1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane has a molecular weight of 238.31 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane is sourced from PubChem (CID 129274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).