1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine

C11H21N2P — CID 142717009

IUPAC1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)C1=CC(C)(P)C(N(C)C)C=C1
InChIInChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3
InChIKeyOOKZKDYFNFVUHY-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.57
Rot. Bonds2

About 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine

1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 142717009) has the molecular formula C11H21N2P and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine
PubChem CID142717009
Molecular FormulaC11H21N2P
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)C1=CC(C)(P)C(N(C)C)C=C1
InChIInChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3
InChIKeyOOKZKDYFNFVUHY-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine (CID 142717009) is 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine is CN(C)C1=CC(C)(P)C(N(C)C)C=C1.
What is the InChIKey of 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is OOKZKDYFNFVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2P/c1-11(14)8-9(12(2)3)6-7-10(11)13(4)5/h6-8,10H,14H2,1-5H3.
What are the key properties of 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine?
1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 212.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N,3-pentamethyl-3-phosphanylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 142717009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).