N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine

C18H20N2O — CID 174583708

IUPACN-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine
SMILESCN1CC[C@H](ON=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-13-12-17(14-20)21-19-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyMZZPCITVQSJAMT-KRWDZBQOSA-N
MW280.37 g/mol
LogP3.16
Rot. Bonds4

About N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine

N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine (PubChem CID 174583708) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine
PubChem CID174583708
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine
SMILESCN1CC[C@H](ON=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-13-12-17(14-20)21-19-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyMZZPCITVQSJAMT-KRWDZBQOSA-N
XLogP3.16
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine?
The IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine (CID 174583708) is N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine?
The canonical SMILES for N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine is CN1CC[C@H](ON=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine?
The InChIKey is MZZPCITVQSJAMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-13-12-17(14-20)21-19-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine?
N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine has a molecular weight of 280.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpyrrolidin-3-yl]oxy-1,1-diphenylmethanimine is sourced from PubChem (CID 174583708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).