CID 58903834

C18H29BN2O2P+ — CID 58903834

IUPAC—
SMILES[B][P+](c1ccccc1)(N1CCC[C@H]1COC)N1CCC[C@H]1COC
InChIInChI=1S/C18H29BN2O2P/c1-22-14-16-8-6-12-20(16)24(19,18-10-4-3-5-11-18)21-13-7-9-17(21)15-23-2/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1/t16-,17-/m0/s1
InChIKeyIKUCPHYYRWMEQR-IRXDYDNUSA-N
MW347.23 g/mol
LogP2.46
Rot. Bonds7

About CID 58903834

CID 58903834 (PubChem CID 58903834) has the molecular formula C18H29BN2O2P+ and a molecular weight of 347.23 g/mol.

Molecular Properties

Compound NameCID 58903834
PubChem CID58903834
Molecular FormulaC18H29BN2O2P+
Molecular Weight347.23 g/mol
Exact Mass347.21
IUPAC Name—
SMILES[B][P+](c1ccccc1)(N1CCC[C@H]1COC)N1CCC[C@H]1COC
InChIInChI=1S/C18H29BN2O2P/c1-22-14-16-8-6-12-20(16)24(19,18-10-4-3-5-11-18)21-13-7-9-17(21)15-23-2/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1/t16-,17-/m0/s1
InChIKeyIKUCPHYYRWMEQR-IRXDYDNUSA-N
XLogP2.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 155935653
CID 155935653
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70940383
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
CID 58160428
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744

Frequently Asked Questions

What is the IUPAC name of CID 58903834?
The IUPAC name of CID 58903834 (CID 58903834) is not available.
What is the SMILES notation for CID 58903834?
The canonical SMILES for CID 58903834 is [B][P+](c1ccccc1)(N1CCC[C@H]1COC)N1CCC[C@H]1COC.
What is the InChIKey of CID 58903834?
The InChIKey is IKUCPHYYRWMEQR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H29BN2O2P/c1-22-14-16-8-6-12-20(16)24(19,18-10-4-3-5-11-18)21-13-7-9-17(21)15-23-2/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/q+1/t16-,17-/m0/s1.
What are the key properties of CID 58903834?
CID 58903834 has a molecular weight of 347.23 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58903834 is sourced from PubChem (CID 58903834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).