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

C14H16NP — CID 86260024

IUPACN,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
SMILESCCN(CC)P1c2cccc3cccc1c23
InChIInChI=1S/C14H16NP/c1-3-15(4-2)16-12-9-5-7-11-8-6-10-13(16)14(11)12/h5-10H,3-4H2,1-2H3
InChIKeyJWLGTYVRMSHYNC-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.84
Rot. Bonds3

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

N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine (PubChem CID 86260024) has the molecular formula C14H16NP and a molecular weight of 229.26 g/mol. Its IUPAC name is N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
PubChem CID86260024
Molecular FormulaC14H16NP
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC NameN,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
SMILESCCN(CC)P1c2cccc3cccc1c23
InChIInChI=1S/C14H16NP/c1-3-15(4-2)16-12-9-5-7-11-8-6-10-13(16)14(11)12/h5-10H,3-4H2,1-2H3
InChIKeyJWLGTYVRMSHYNC-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.84
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-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The IUPAC name of N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine (CID 86260024) is N,N-diethyl-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-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The canonical SMILES for N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine is CCN(CC)P1c2cccc3cccc1c23.
What is the InChIKey of N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
The InChIKey is JWLGTYVRMSHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP/c1-3-15(4-2)16-12-9-5-7-11-8-6-10-13(16)14(11)12/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine?
N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine has a molecular weight of 229.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine is sourced from PubChem (CID 86260024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).