N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine

C12H20N2O — CID 177317715

IUPACN-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine
SMILESCNC1=CCCN(C2CC3(COC3)C2)C1
InChIInChI=1S/C12H20N2O/c1-13-10-3-2-4-14(7-10)11-5-12(6-11)8-15-9-12/h3,11,13H,2,4-9H2,1H3
InChIKeySCBSOHVXTIDCTI-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine

N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine (PubChem CID 177317715) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine.

Molecular Properties

Compound NameN-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine
PubChem CID177317715
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine
SMILESCNC1=CCCN(C2CC3(COC3)C2)C1
InChIInChI=1S/C12H20N2O/c1-13-10-3-2-4-14(7-10)11-5-12(6-11)8-15-9-12/h3,11,13H,2,4-9H2,1H3
InChIKeySCBSOHVXTIDCTI-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;1-N-(2-oxaspiro[3.3]heptan-6-yl)but-3-ene-1,3-diamine
CID 168165641
1-N-methyl-4-N-(2-oxaspiro[3.3]heptan-6-yl)cyclohexene-1,4-diamine
CID 177317402
1-N-methyl-3-N-(2-oxaspiro[3.3]heptan-6-yl)cyclohexene-1,3-diamine
CID 177317693

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine?
The IUPAC name of N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine (CID 177317715) is N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine.
What is the SMILES notation for N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine?
The canonical SMILES for N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine is CNC1=CCCN(C2CC3(COC3)C2)C1.
What is the InChIKey of N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine?
The InChIKey is SCBSOHVXTIDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-10-3-2-4-14(7-10)11-5-12(6-11)8-15-9-12/h3,11,13H,2,4-9H2,1H3.
What are the key properties of N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine?
N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine has a molecular weight of 208.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridin-5-amine is sourced from PubChem (CID 177317715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).