N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine

C17H27N3O2 — CID 97375201

IUPACN,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine
SMILESCN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H27N3O2/c1-19(2)10-15-9-17(22-12-15)13-20(7-8-21-14-17)11-16-5-3-4-6-18-16/h3-6,15H,7-14H2,1-2H3/t15-,17-/m1/s1
InChIKeyHSJPIXOFMDWNDM-NVXWUHKLSA-N
MW305.42 g/mol
LogP1.25
Rot. Bonds4

About N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine

N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine (PubChem CID 97375201) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine
PubChem CID97375201
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine
SMILESCN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H27N3O2/c1-19(2)10-15-9-17(22-12-15)13-20(7-8-21-14-17)11-16-5-3-4-6-18-16/h3-6,15H,7-14H2,1-2H3/t15-,17-/m1/s1
InChIKeyHSJPIXOFMDWNDM-NVXWUHKLSA-N
XLogP1.25
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine (CID 97375201) is N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine is CN(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine?
The InChIKey is HSJPIXOFMDWNDM-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)10-15-9-17(22-12-15)13-20(7-8-21-14-17)11-16-5-3-4-6-18-16/h3-6,15H,7-14H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine?
N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine has a molecular weight of 305.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3R,5R)-7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine is sourced from PubChem (CID 97375201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).