4-(1-methylcycloheptyl)-2H-azadiphosphole

C10H17NP2 — CID 91400839

IUPAC4-(1-methylcycloheptyl)-2H-azadiphosphole
SMILESCC1(c2cn[pH]p2)CCCCCC1
InChIInChI=1S/C10H17NP2/c1-10(9-8-11-13-12-9)6-4-2-3-5-7-10/h8,13H,2-7H2,1H3
InChIKeyILBMIJPKNFOAGX-UHFFFAOYSA-N
MW213.20 g/mol
LogP4.30
Rot. Bonds1

About 4-(1-methylcycloheptyl)-2H-azadiphosphole

4-(1-methylcycloheptyl)-2H-azadiphosphole (PubChem CID 91400839) has the molecular formula C10H17NP2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(1-methylcycloheptyl)-2H-azadiphosphole.

Molecular Properties

Compound Name4-(1-methylcycloheptyl)-2H-azadiphosphole
PubChem CID91400839
Molecular FormulaC10H17NP2
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name4-(1-methylcycloheptyl)-2H-azadiphosphole
SMILESCC1(c2cn[pH]p2)CCCCCC1
InChIInChI=1S/C10H17NP2/c1-10(9-8-11-13-12-9)6-4-2-3-5-7-10/h8,13H,2-7H2,1H3
InChIKeyILBMIJPKNFOAGX-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcycloheptyl)-2H-azadiphosphole?
The IUPAC name of 4-(1-methylcycloheptyl)-2H-azadiphosphole (CID 91400839) is 4-(1-methylcycloheptyl)-2H-azadiphosphole.
What is the SMILES notation for 4-(1-methylcycloheptyl)-2H-azadiphosphole?
The canonical SMILES for 4-(1-methylcycloheptyl)-2H-azadiphosphole is CC1(c2cn[pH]p2)CCCCCC1.
What is the InChIKey of 4-(1-methylcycloheptyl)-2H-azadiphosphole?
The InChIKey is ILBMIJPKNFOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NP2/c1-10(9-8-11-13-12-9)6-4-2-3-5-7-10/h8,13H,2-7H2,1H3.
What are the key properties of 4-(1-methylcycloheptyl)-2H-azadiphosphole?
4-(1-methylcycloheptyl)-2H-azadiphosphole has a molecular weight of 213.20 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcycloheptyl)-2H-azadiphosphole is sourced from PubChem (CID 91400839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).