(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine

C19H24NP — CID 90131117

IUPAC(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NP/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,20H2,1H3/t15-,18+,19+/m1/s1
InChIKeySHEJORRKFZKXQO-MNEFBYGVSA-N
MW297.38 g/mol
LogP3.64
Rot. Bonds4

About (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine

(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine (PubChem CID 90131117) has the molecular formula C19H24NP and a molecular weight of 297.38 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
PubChem CID90131117
Molecular FormulaC19H24NP
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NP/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,20H2,1H3/t15-,18+,19+/m1/s1
InChIKeySHEJORRKFZKXQO-MNEFBYGVSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
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-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine (CID 90131117) is (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine is C[C@@H](N)[C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine?
The InChIKey is SHEJORRKFZKXQO-MNEFBYGVSA-N. The full InChI is InChI=1S/C19H24NP/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,20H2,1H3/t15-,18+,19+/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine?
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine has a molecular weight of 297.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine is sourced from PubChem (CID 90131117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).