1-oxaspiro[4.7]dodecan-2-ylmethanamine

C12H23NO — CID 130583709

IUPAC1-oxaspiro[4.7]dodecan-2-ylmethanamine
SMILESNCC1CCC2(CCCCCCC2)O1
InChIInChI=1S/C12H23NO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10,13H2
InChIKeyRWKWHFLOAKBEPX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds1

About 1-oxaspiro[4.7]dodecan-2-ylmethanamine

1-oxaspiro[4.7]dodecan-2-ylmethanamine (PubChem CID 130583709) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-oxaspiro[4.7]dodecan-2-ylmethanamine.

Molecular Properties

Compound Name1-oxaspiro[4.7]dodecan-2-ylmethanamine
PubChem CID130583709
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-oxaspiro[4.7]dodecan-2-ylmethanamine
SMILESNCC1CCC2(CCCCCCC2)O1
InChIInChI=1S/C12H23NO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10,13H2
InChIKeyRWKWHFLOAKBEPX-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
CID 130585875
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
CID 102898886
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.7]dodecan-2-ylmethanamine?
The IUPAC name of 1-oxaspiro[4.7]dodecan-2-ylmethanamine (CID 130583709) is 1-oxaspiro[4.7]dodecan-2-ylmethanamine.
What is the SMILES notation for 1-oxaspiro[4.7]dodecan-2-ylmethanamine?
The canonical SMILES for 1-oxaspiro[4.7]dodecan-2-ylmethanamine is NCC1CCC2(CCCCCCC2)O1.
What is the InChIKey of 1-oxaspiro[4.7]dodecan-2-ylmethanamine?
The InChIKey is RWKWHFLOAKBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10,13H2.
What are the key properties of 1-oxaspiro[4.7]dodecan-2-ylmethanamine?
1-oxaspiro[4.7]dodecan-2-ylmethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.7]dodecan-2-ylmethanamine is sourced from PubChem (CID 130583709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).