N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine

C16H30N2O3 — CID 99701525

IUPACN-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)[C@H](C)N1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-13(14(2)18-7-9-19-10-8-18)17-15-3-5-16(6-4-15)20-11-12-21-16/h13-15,17H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJHZPFCCMHQWLCZ-KBPBESRZSA-N
MW298.43 g/mol
LogP1.37
Rot. Bonds4

About N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 99701525) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID99701525
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)[C@H](C)N1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-13(14(2)18-7-9-19-10-8-18)17-15-3-5-16(6-4-15)20-11-12-21-16/h13-15,17H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJHZPFCCMHQWLCZ-KBPBESRZSA-N
XLogP1.37
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

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Related Compounds

1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
CID 97231653
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
CID 60931755
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104814286
trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429871
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986
N-(1,4-dioxaspiro[4.5]decan-8-yl)morpholine-4-sulfonamide
CID 47319516
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
CID 43573998
2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477178
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 99701525) is N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@H](NC1CCC2(CC1)OCCO2)[C@H](C)N1CCOCC1.
What is the InChIKey of N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is JHZPFCCMHQWLCZ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(14(2)18-7-9-19-10-8-18)17-15-3-5-16(6-4-15)20-11-12-21-16/h13-15,17H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 298.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 99701525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).