(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine

C10H19NO — CID 163784968

IUPAC(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine
SMILESCC[C@@H](C)[C@H]1C[C@@]2(CO1)CC2N
InChIInChI=1S/C10H19NO/c1-3-7(2)8-4-10(6-12-8)5-9(10)11/h7-9H,3-6,11H2,1-2H3/t7-,8-,9?,10+/m1/s1
InChIKeyMRTHCMSARGEELI-VYQDEHIVSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds2

About (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine

(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine (PubChem CID 163784968) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine.

Molecular Properties

Compound Name(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine
PubChem CID163784968
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine
SMILESCC[C@@H](C)[C@H]1C[C@@]2(CO1)CC2N
InChIInChI=1S/C10H19NO/c1-3-7(2)8-4-10(6-12-8)5-9(10)11/h7-9H,3-6,11H2,1-2H3/t7-,8-,9?,10+/m1/s1
InChIKeyMRTHCMSARGEELI-VYQDEHIVSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Methyl-1-(oxolan-2-yl)hexan-3-amine
CID 13029349
(2-Tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
CID 22079428
2-Butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
2-Tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
CID 59848423
5-Tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
CID 59848478
2-(5-Methyloxolan-2-yl)cyclopropan-1-amine
CID 80345640
1-[5-(2-Methylpropyl)oxolan-2-yl]propan-2-amine
CID 130464357
3-(Oxolan-2-yl)butan-2-amine
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CID 156102033

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine?
The IUPAC name of (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine (CID 163784968) is (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine.
What is the SMILES notation for (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine?
The canonical SMILES for (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine is CC[C@@H](C)[C@H]1C[C@@]2(CO1)CC2N.
What is the InChIKey of (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine?
The InChIKey is MRTHCMSARGEELI-VYQDEHIVSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-7(2)8-4-10(6-12-8)5-9(10)11/h7-9H,3-6,11H2,1-2H3/t7-,8-,9?,10+/m1/s1.
What are the key properties of (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine?
(3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-[(2R)-butan-2-yl]-5-oxaspiro[2.4]heptan-2-amine is sourced from PubChem (CID 163784968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).