(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine

C7H13NO3 — CID 97289961

IUPAC(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
SMILESN[C@@H]1COCCC12OCCO2
InChIInChI=1S/C7H13NO3/c8-6-5-9-2-1-7(6)10-3-4-11-7/h6H,1-5,8H2/t6-/m1/s1
InChIKeyMKUXRXRMIKBPCS-ZCFIWIBFSA-N
MW159.18 g/mol
LogP-0.52
Rot. Bonds

About (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine

(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine (PubChem CID 97289961) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine.

Molecular Properties

Compound Name(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
PubChem CID97289961
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
SMILESN[C@@H]1COCCC12OCCO2
InChIInChI=1S/C7H13NO3/c8-6-5-9-2-1-7(6)10-3-4-11-7/h6H,1-5,8H2/t6-/m1/s1
InChIKeyMKUXRXRMIKBPCS-ZCFIWIBFSA-N
XLogP-0.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4,8-trioxaspiro[4.5]decan-6-yl)butanal
CID 77231150
3-amino-4-hydroxyoxane-4-carboxylic acid
CID 165471623
4-methoxy-6-oxaspiro[2.5]octan-2-amine
CID 130927854
3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
CID 84782858
2,6,7-trioxabicyclo[2.2.2]octan-1-amine
CID 116986869
7-oxaspiro[2.6]nonan-2-amine
CID 65080551
2-(4,4-difluorooxan-3-yl)ethanamine
CID 84764908
1-oxaspiro[3.4]octan-3-amine
CID 155895257
3-oxaspiro[5.5]undecan-11-amine
CID 83905754
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
CID 125181068

Frequently Asked Questions

What is the IUPAC name of (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine?
The IUPAC name of (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine (CID 97289961) is (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine.
What is the SMILES notation for (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine?
The canonical SMILES for (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine is N[C@@H]1COCCC12OCCO2.
What is the InChIKey of (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine?
The InChIKey is MKUXRXRMIKBPCS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6-5-9-2-1-7(6)10-3-4-11-7/h6H,1-5,8H2/t6-/m1/s1.
What are the key properties of (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine?
(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine has a molecular weight of 159.18 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,4,8-trioxaspiro[4.5]decan-6-amine is sourced from PubChem (CID 97289961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).