3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine

C25H28N4O — CID 134806577

IUPAC3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2
InChIInChI=1S/C25H28N4O/c26-24-20(8-7-13-27-24)14-28-15-21(16-30-23-11-5-2-6-12-23)25(17-28)18-29(19-25)22-9-3-1-4-10-22/h1-13,21H,14-19H2,(H2,26,27)
InChIKeyDSPRGUZJWCHMDO-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.68
Rot. Bonds6

About 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine

3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine (PubChem CID 134806577) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine
PubChem CID134806577
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine
SMILESNc1ncccc1CN1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2
InChIInChI=1S/C25H28N4O/c26-24-20(8-7-13-27-24)14-28-15-21(16-30-23-11-5-2-6-12-23)25(17-28)18-29(19-25)22-9-3-1-4-10-22/h1-13,21H,14-19H2,(H2,26,27)
InChIKeyDSPRGUZJWCHMDO-UHFFFAOYSA-N
XLogP3.68
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine (CID 134806577) is 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine is Nc1ncccc1CN1CC(COc2ccccc2)C2(C1)CN(c1ccccc1)C2.
What is the InChIKey of 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine?
The InChIKey is DSPRGUZJWCHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-24-20(8-7-13-27-24)14-28-15-21(16-30-23-11-5-2-6-12-23)25(17-28)18-29(19-25)22-9-3-1-4-10-22/h1-13,21H,14-19H2,(H2,26,27).
What are the key properties of 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine?
3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine has a molecular weight of 400.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 134806577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).