methanamine;1,4,7-trioxaspiro[4.4]nonane

C7H15NO3 — CID 123644073

IUPACmethanamine;1,4,7-trioxaspiro[4.4]nonane
SMILESC1CC2(CO1)OCCO2.CN
InChIInChI=1S/C6H10O3.CH5N/c1-2-7-5-6(1)8-3-4-9-6;1-2/h1-5H2;2H2,1H3
InChIKeyQKKOTPQRSHUGTI-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.28
Rot. Bonds

About methanamine;1,4,7-trioxaspiro[4.4]nonane

methanamine;1,4,7-trioxaspiro[4.4]nonane (PubChem CID 123644073) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methanamine;1,4,7-trioxaspiro[4.4]nonane.

Molecular Properties

Compound Namemethanamine;1,4,7-trioxaspiro[4.4]nonane
PubChem CID123644073
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethanamine;1,4,7-trioxaspiro[4.4]nonane
SMILESC1CC2(CO1)OCCO2.CN
InChIInChI=1S/C6H10O3.CH5N/c1-2-7-5-6(1)8-3-4-9-6;1-2/h1-5H2;2H2,1H3
InChIKeyQKKOTPQRSHUGTI-UHFFFAOYSA-N
XLogP-0.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanamine;1,4,7-trioxaspiro[4.4]nonane?
The IUPAC name of methanamine;1,4,7-trioxaspiro[4.4]nonane (CID 123644073) is methanamine;1,4,7-trioxaspiro[4.4]nonane.
What is the SMILES notation for methanamine;1,4,7-trioxaspiro[4.4]nonane?
The canonical SMILES for methanamine;1,4,7-trioxaspiro[4.4]nonane is C1CC2(CO1)OCCO2.CN.
What is the InChIKey of methanamine;1,4,7-trioxaspiro[4.4]nonane?
The InChIKey is QKKOTPQRSHUGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.CH5N/c1-2-7-5-6(1)8-3-4-9-6;1-2/h1-5H2;2H2,1H3.
What are the key properties of methanamine;1,4,7-trioxaspiro[4.4]nonane?
methanamine;1,4,7-trioxaspiro[4.4]nonane has a molecular weight of 161.20 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1,4,7-trioxaspiro[4.4]nonane is sourced from PubChem (CID 123644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).