(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine

C14H25NO2 — CID 97102884

IUPAC(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESC1CO[C@@H](CN[C@H]2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C14H25NO2/c1-2-7-14(6-1)10-12(5-9-17-14)15-11-13-4-3-8-16-13/h12-13,15H,1-11H2/t12-,13+/m0/s1
InChIKeyFYCBGFVHDAQGHL-QWHCGFSZSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds3

About (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine

(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 97102884) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID97102884
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESC1CO[C@@H](CN[C@H]2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C14H25NO2/c1-2-7-14(6-1)10-12(5-9-17-14)15-11-13-4-3-8-16-13/h12-13,15H,1-11H2/t12-,13+/m0/s1
InChIKeyFYCBGFVHDAQGHL-QWHCGFSZSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79900777
N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 106025437

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine (CID 97102884) is (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine is C1CO[C@@H](CN[C@H]2CCOC3(CCCC3)C2)C1.
What is the InChIKey of (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is FYCBGFVHDAQGHL-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-7-14(6-1)10-12(5-9-17-14)15-11-13-4-3-8-16-13/h12-13,15H,1-11H2/t12-,13+/m0/s1.
What are the key properties of (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine?
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 239.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97102884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).