N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C18H32N2O — CID 102897639

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CCC2(CC1)CCC(CNC1CCN3CCCC3C1)O2
InChIInChI=1S/C18H32N2O/c1-2-8-18(9-3-1)10-6-17(21-18)14-19-15-7-12-20-11-4-5-16(20)13-15/h15-17,19H,1-14H2
InChIKeyIBJXDJQTGZUZBO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds3

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 102897639) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID102897639
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CCC2(CC1)CCC(CNC1CCN3CCCC3C1)O2
InChIInChI=1S/C18H32N2O/c1-2-8-18(9-3-1)10-6-17(21-18)14-19-15-7-12-20-11-4-5-16(20)13-15/h15-17,19H,1-14H2
InChIKeyIBJXDJQTGZUZBO-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine
CID 102896872
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
N-[(1-ethylcyclopentyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847643
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-oxothian-4-amine
CID 102897832
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79900777
2,6-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-1-amine
CID 102897697
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
CID 102896724
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 102897639) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is C1CCC2(CC1)CCC(CNC1CCN3CCCC3C1)O2.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is IBJXDJQTGZUZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-8-18(9-3-1)10-6-17(21-18)14-19-15-7-12-20-11-4-5-16(20)13-15/h15-17,19H,1-14H2.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 292.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 102897639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).