CID 58921842

C17H27NP+ — CID 58921842

IUPAC—
SMILES[CH][P+](C)(c1ccccc1)C1CCCC1[C@@H](C)N(C)C
InChIInChI=1S/C17H27NP/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15/h4,6-8,10-11,14,16-17H,9,12-13H2,1-3,5H3/q+1/t14-,16?,17?,19?/m1/s1
InChIKeyUPKNCJCSQRXCLH-AEGNVBMISA-N
MW276.38 g/mol
LogP3.75
Rot. Bonds4

About CID 58921842

CID 58921842 (PubChem CID 58921842) has the molecular formula C17H27NP+ and a molecular weight of 276.38 g/mol.

Molecular Properties

Compound NameCID 58921842
PubChem CID58921842
Molecular FormulaC17H27NP+
Molecular Weight276.38 g/mol
Exact Mass276.19
IUPAC Name—
SMILES[CH][P+](C)(c1ccccc1)C1CCCC1[C@@H](C)N(C)C
InChIInChI=1S/C17H27NP/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15/h4,6-8,10-11,14,16-17H,9,12-13H2,1-3,5H3/q+1/t14-,16?,17?,19?/m1/s1
InChIKeyUPKNCJCSQRXCLH-AEGNVBMISA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
CID 91444894
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
CID 58921857
CID 58921857
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
(1R)-N,N-dimethyl-1-[2-(2-phenylpropan-2-yl)cyclopentyl]ethanamine
CID 59843953
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
CID 90741599

Frequently Asked Questions

What is the IUPAC name of CID 58921842?
The IUPAC name of CID 58921842 (CID 58921842) is not available.
What is the SMILES notation for CID 58921842?
The canonical SMILES for CID 58921842 is [CH][P+](C)(c1ccccc1)C1CCCC1[C@@H](C)N(C)C.
What is the InChIKey of CID 58921842?
The InChIKey is UPKNCJCSQRXCLH-AEGNVBMISA-N. The full InChI is InChI=1S/C17H27NP/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15/h4,6-8,10-11,14,16-17H,9,12-13H2,1-3,5H3/q+1/t14-,16?,17?,19?/m1/s1.
What are the key properties of CID 58921842?
CID 58921842 has a molecular weight of 276.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58921842 is sourced from PubChem (CID 58921842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).