N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine

C15H27NO2 — CID 102952349

IUPACN-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCOC1(CNC2CCC23CCCCC3)CCOC1
InChIInChI=1S/C15H27NO2/c1-17-15(9-10-18-12-15)11-16-13-5-8-14(13)6-3-2-4-7-14/h13,16H,2-12H2,1H3
InChIKeyPCABSTYPZTXJPW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine

N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102952349) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102952349
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCOC1(CNC2CCC23CCCCC3)CCOC1
InChIInChI=1S/C15H27NO2/c1-17-15(9-10-18-12-15)11-16-13-5-8-14(13)6-3-2-4-7-14/h13,16H,2-12H2,1H3
InChIKeyPCABSTYPZTXJPW-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine
CID 102952093
N-[(3-methoxyoxolan-3-yl)methyl]piperidin-3-amine
CID 104759714
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
CID 104759812
3-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexan-1-amine
CID 104705790
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 104760803
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 104759668
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113443436
1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760726

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine (CID 102952349) is N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine is COC1(CNC2CCC23CCCCC3)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is PCABSTYPZTXJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-17-15(9-10-18-12-15)11-16-13-5-8-14(13)6-3-2-4-7-14/h13,16H,2-12H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine?
N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).