(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

C14H20NP — CID 163882972

IUPAC(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H](C1=C(PC2=CCC=C2)CC=C1)N(C)C
InChIInChI=1S/C14H20NP/c1-11(15(2)3)13-9-6-10-14(13)16-12-7-4-5-8-12/h4,6-9,11,16H,5,10H2,1-3H3/t11-/m1/s1
InChIKeyPUXACYXUWCIORZ-LLVKDONJSA-N
MW233.29 g/mol
LogP3.67
Rot. Bonds4

About (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 163882972) has the molecular formula C14H20NP and a molecular weight of 233.29 g/mol. Its IUPAC name is (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID163882972
Molecular FormulaC14H20NP
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H](C1=C(PC2=CCC=C2)CC=C1)N(C)C
InChIInChI=1S/C14H20NP/c1-11(15(2)3)13-9-6-10-14(13)16-12-7-4-5-8-12/h4,6-9,11,16H,5,10H2,1-3H3/t11-/m1/s1
InChIKeyPUXACYXUWCIORZ-LLVKDONJSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.67
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 (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 163882972) is (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is C[C@H](C1=C(PC2=CCC=C2)CC=C1)N(C)C.
What is the InChIKey of (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is PUXACYXUWCIORZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20NP/c1-11(15(2)3)13-9-6-10-14(13)16-12-7-4-5-8-12/h4,6-9,11,16H,5,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
(1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-cyclopenta-1,4-dien-1-ylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 163882972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).