(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C17H26NP — CID 118351258

IUPAC(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)[P@@](C1=CC=CC1)C1=CC=CC1[C@@H](C)N(C)C
InChIInChI=1S/C17H26NP/c1-13(2)19(15-9-6-7-10-15)17-12-8-11-16(17)14(3)18(4)5/h6-9,11-14,16H,10H2,1-5H3/t14-,16?,19+/m1/s1
InChIKeyFFDAYANRXZNFNX-QWNRATHESA-N
MW275.38 g/mol
LogP4.74
Rot. Bonds5

About (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 118351258) has the molecular formula C17H26NP and a molecular weight of 275.38 g/mol. Its IUPAC name is (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID118351258
Molecular FormulaC17H26NP
Molecular Weight275.38 g/mol
Exact Mass275.18
IUPAC Name(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)[P@@](C1=CC=CC1)C1=CC=CC1[C@@H](C)N(C)C
InChIInChI=1S/C17H26NP/c1-13(2)19(15-9-6-7-10-15)17-12-8-11-16(17)14(3)18(4)5/h6-9,11-14,16H,10H2,1-5H3/t14-,16?,19+/m1/s1
InChIKeyFFDAYANRXZNFNX-QWNRATHESA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 118351258) is (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is CC(C)[P@@](C1=CC=CC1)C1=CC=CC1[C@@H](C)N(C)C.
What is the InChIKey of (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is FFDAYANRXZNFNX-QWNRATHESA-N. The full InChI is InChI=1S/C17H26NP/c1-13(2)19(15-9-6-7-10-15)17-12-8-11-16(17)14(3)18(4)5/h6-9,11-14,16H,10H2,1-5H3/t14-,16?,19+/m1/s1.
What are the key properties of (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
(1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 275.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclopenta-1,3-dien-1-yl(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 118351258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).