(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine

C15H25NO3 — CID 98870500

IUPAC(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2(CCO1)OC[C@@H](CN[C@@H]1C[C@H]3CC[C@H]1C3)O2
InChIInChI=1S/C15H25NO3/c1-2-12-7-11(1)8-14(12)16-9-13-10-18-15(19-13)3-5-17-6-4-15/h11-14,16H,1-10H2/t11-,12-,13+,14+/m0/s1
InChIKeySNQOHIDCXWFKDU-IGQOVBAYSA-N
MW267.37 g/mol
LogP1.69
Rot. Bonds3

About (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine

(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 98870500) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID98870500
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2(CCO1)OC[C@@H](CN[C@@H]1C[C@H]3CC[C@H]1C3)O2
InChIInChI=1S/C15H25NO3/c1-2-12-7-11(1)8-14(12)16-9-13-10-18-15(19-13)3-5-17-6-4-15/h11-14,16H,1-10H2/t11-,12-,13+,14+/m0/s1
InChIKeySNQOHIDCXWFKDU-IGQOVBAYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

(1R,5R,6S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840678
(1R,5R,6S)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840680
2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine
CID 115919754
(3R)-3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 129382017
3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 82775173
1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
CID 75517003
(2S)-3,3-dimethyl-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]butan-2-amine
CID 97338709
2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine
CID 154755746
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886354
N-[(1-cyclopropylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115895728
N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]quinolin-4-amine
CID 97259591

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine (CID 98870500) is (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine is C1CC2(CCO1)OC[C@@H](CN[C@@H]1C[C@H]3CC[C@H]1C3)O2.
What is the InChIKey of (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SNQOHIDCXWFKDU-IGQOVBAYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-12-7-11(1)8-14(12)16-9-13-10-18-15(19-13)3-5-17-6-4-15/h11-14,16H,1-10H2/t11-,12-,13+,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine?
(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98870500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).