(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine

C23H33NO3Si — CID 71002737

IUPAC(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine
SMILESCC1(C)OC[C@H]([C@H](N)CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C23H33NO3Si/c1-22(2,16-15-20(24)21-17-26-23(3,4)27-21)28(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,25H,15-17,24H2,1-4H3/t20-,21-/m1/s1
InChIKeyNXFWJRMYBROKMK-NHCUHLMSSA-N
MW399.61 g/mol
LogP2.78
Rot. Bonds7

About (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine

(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine (PubChem CID 71002737) has the molecular formula C23H33NO3Si and a molecular weight of 399.61 g/mol. Its IUPAC name is (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine
PubChem CID71002737
Molecular FormulaC23H33NO3Si
Molecular Weight399.61 g/mol
Exact Mass399.22
IUPAC Name(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine
SMILESCC1(C)OC[C@H]([C@H](N)CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C23H33NO3Si/c1-22(2,16-15-20(24)21-17-26-23(3,4)27-21)28(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,25H,15-17,24H2,1-4H3/t20-,21-/m1/s1
InChIKeyNXFWJRMYBROKMK-NHCUHLMSSA-N
XLogP2.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine (CID 71002737) is (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine is CC1(C)OC[C@H]([C@H](N)CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine?
The InChIKey is NXFWJRMYBROKMK-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H33NO3Si/c1-22(2,16-15-20(24)21-17-26-23(3,4)27-21)28(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,25H,15-17,24H2,1-4H3/t20-,21-/m1/s1.
What are the key properties of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine?
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine has a molecular weight of 399.61 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[hydroxy(diphenyl)silyl]-4-methylpentan-1-amine is sourced from PubChem (CID 71002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).