2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine

C10H19NO3 — CID 125181068

IUPAC2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
SMILESCC(C)(CN)[C@H]1COCC12OCCO2
InChIInChI=1S/C10H19NO3/c1-9(2,6-11)8-5-12-7-10(8)13-3-4-14-10/h8H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyUWHYSKFCPWYJPJ-MRVPVSSYSA-N
MW201.27 g/mol
LogP0.36
Rot. Bonds2

About 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine

2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine (PubChem CID 125181068) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
PubChem CID125181068
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
SMILESCC(C)(CN)[C@H]1COCC12OCCO2
InChIInChI=1S/C10H19NO3/c1-9(2,6-11)8-5-12-7-10(8)13-3-4-14-10/h8H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyUWHYSKFCPWYJPJ-MRVPVSSYSA-N
XLogP0.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propanenitrile
CID 125181007
1-(2-methylprop-2-enyl)-2-[2-methyl-2-(1,4,7-trioxaspiro[4.4]nonan-9-yl)propyl]guanidine
CID 122098822
1-(3,4-dimethylphenyl)-2-[2-methyl-2-(1,4,7-trioxaspiro[4.4]nonan-9-yl)propyl]guanidine
CID 122098833
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
4-tert-butyl-3-methoxy-3-methyloxolane
CID 164933907
2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
CID 57455404
(3-tert-butyloxolan-3-yl)methanamine
CID 83815554
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
2,3-dimethyl-2-(3-methylmorpholin-4-yl)butan-1-amine
CID 61353365
(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
CID 97289961
5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
CID 167376330
[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
CID 116874929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine (CID 125181068) is 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine is CC(C)(CN)[C@H]1COCC12OCCO2.
What is the InChIKey of 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine?
The InChIKey is UWHYSKFCPWYJPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,6-11)8-5-12-7-10(8)13-3-4-14-10/h8H,3-7,11H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine?
2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine is sourced from PubChem (CID 125181068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).