N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine

C16H20NP — CID 12969346

IUPACN,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
SMILESCC(C)N(C(C)C)P1c2cccc3cccc1c23
InChIInChI=1S/C16H20NP/c1-11(2)17(12(3)4)18-14-9-5-7-13-8-6-10-15(18)16(13)14/h5-12H,1-4H3
InChIKeyONALHBIZKIZFNX-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.62
Rot. Bonds3

About N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine

N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine (PubChem CID 12969346) has the molecular formula C16H20NP and a molecular weight of 257.32 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
PubChem CID12969346
Molecular FormulaC16H20NP
Molecular Weight257.32 g/mol
Exact Mass257.13
IUPAC NameN,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
SMILESCC(C)N(C(C)C)P1c2cccc3cccc1c23
InChIInChI=1S/C16H20NP/c1-11(2)17(12(3)4)18-14-9-5-7-13-8-6-10-15(18)16(13)14/h5-12H,1-4H3
InChIKeyONALHBIZKIZFNX-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The IUPAC name of N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine (CID 12969346) is N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The canonical SMILES for N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine is CC(C)N(C(C)C)P1c2cccc3cccc1c23.
What is the InChIKey of N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The InChIKey is ONALHBIZKIZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NP/c1-11(2)17(12(3)4)18-14-9-5-7-13-8-6-10-15(18)16(13)14/h5-12H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine is sourced from PubChem (CID 12969346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).