3-oxaspiro[5.5]undecan-11-ylmethanamine

C11H21NO — CID 83906798

IUPAC3-oxaspiro[5.5]undecan-11-ylmethanamine
SMILESNCC1CCCCC12CCOCC2
InChIInChI=1S/C11H21NO/c12-9-10-3-1-2-4-11(10)5-7-13-8-6-11/h10H,1-9,12H2
InChIKeyNYZIZPMSUBZLRD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds1

About 3-oxaspiro[5.5]undecan-11-ylmethanamine

3-oxaspiro[5.5]undecan-11-ylmethanamine (PubChem CID 83906798) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undecan-11-ylmethanamine.

Molecular Properties

Compound Name3-oxaspiro[5.5]undecan-11-ylmethanamine
PubChem CID83906798
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-oxaspiro[5.5]undecan-11-ylmethanamine
SMILESNCC1CCCCC12CCOCC2
InChIInChI=1S/C11H21NO/c12-9-10-3-1-2-4-11(10)5-7-13-8-6-11/h10H,1-9,12H2
InChIKeyNYZIZPMSUBZLRD-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Oxaspiro(5.5)undecan-9-amine hydrochloride
CID 71755612
{8-Oxaspiro[4.5]decan-1-yl}methanamine
CID 83905750
1-{3-Oxaspiro[5.5]undecan-9-yl}methanamine hydrochloride
CID 165879878
3-Oxaspiro[5.5]undecan-9-amine
CID 71755613
2-(2-ethyl-4-isopropyl-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 4371711
2-[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]-ethylamine
CID 129768638
3-(Cyclohexylmethyl)oxan-4-amine
CID 82398610
4-(2-Ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392667
1-[4,4-Difluoro-1-(oxan-4-yl)cyclohexyl]methanamine
CID 165839859
[4,4-Difluoro-1-(4-methyloxan-4-yl)cyclohexyl]methanamine
CID 165840388
3-Oxaspiro[5.5]undecan-10-amine
CID 176451574
(2S)-2-[[(3R)-oxan-3-yl]methyl]butan-1-amine
CID 58330036

Frequently Asked Questions

What is the IUPAC name of 3-oxaspiro[5.5]undecan-11-ylmethanamine?
The IUPAC name of 3-oxaspiro[5.5]undecan-11-ylmethanamine (CID 83906798) is 3-oxaspiro[5.5]undecan-11-ylmethanamine.
What is the SMILES notation for 3-oxaspiro[5.5]undecan-11-ylmethanamine?
The canonical SMILES for 3-oxaspiro[5.5]undecan-11-ylmethanamine is NCC1CCCCC12CCOCC2.
What is the InChIKey of 3-oxaspiro[5.5]undecan-11-ylmethanamine?
The InChIKey is NYZIZPMSUBZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-9-10-3-1-2-4-11(10)5-7-13-8-6-11/h10H,1-9,12H2.
What are the key properties of 3-oxaspiro[5.5]undecan-11-ylmethanamine?
3-oxaspiro[5.5]undecan-11-ylmethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxaspiro[5.5]undecan-11-ylmethanamine is sourced from PubChem (CID 83906798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).