methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane

C9H21NO — CID 171551994

IUPACmethanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
SMILESC1CCC2(CC1)CCO2.CN.[H][H]
InChIInChI=1S/C8H14O.CH5N.H2/c1-2-4-8(5-3-1)6-7-9-8;1-2;/h1-7H2;2H2,1H3;1H
InChIKeyUJOHMMAZICWKCQ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds

About methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane

methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane (PubChem CID 171551994) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Namemethanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
PubChem CID171551994
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Namemethanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
SMILESC1CCC2(CC1)CCO2.CN.[H][H]
InChIInChI=1S/C8H14O.CH5N.H2/c1-2-4-8(5-3-1)6-7-9-8;1-2;/h1-7H2;2H2,1H3;1H
InChIKeyUJOHMMAZICWKCQ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;4-oxaspiro[2.4]heptane
CID 144744375
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739
1-oxaspiro[4.5]decan-8-amine
CID 67070405
1-oxa-9-azaspiro[3.7]undecane
CID 118210357
7,11-dioxaspiro[5.6]dodecane
CID 122692865
2,2-dimethyloxane;methanamine
CID 144836185
1-oxaspiro[2.7]decane
CID 13240757
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
2-(1-oxa-9-azaspiro[5.5]undecan-9-yl)propane-2-thiol
CID 139475254
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
N,N-dimethyl-1-oxaspiro[4.5]decan-8-amine
CID 58035405

Frequently Asked Questions

What is the IUPAC name of methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane?
The IUPAC name of methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane (CID 171551994) is methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane.
What is the SMILES notation for methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane?
The canonical SMILES for methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane is C1CCC2(CC1)CCO2.CN.[H][H].
What is the InChIKey of methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane?
The InChIKey is UJOHMMAZICWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.CH5N.H2/c1-2-4-8(5-3-1)6-7-9-8;1-2;/h1-7H2;2H2,1H3;1H.
What are the key properties of methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane?
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane has a molecular weight of 159.27 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane is sourced from PubChem (CID 171551994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).