but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H28N2O5 — CID 67712384

IUPACbut-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCC1OC2(CCN(C)CC2)CC1N(C)C.O=C(O)C=CC(=O)O
InChIInChI=1S/C12H24N2O.C4H4O4/c1-10-11(13(2)3)9-12(15-10)5-7-14(4)8-6-12;5-3(6)1-2-4(7)8/h10-11H,5-9H2,1-4H3;1-2H,(H,5,6)(H,7,8)
InChIKeyRUVZFOJDMQVRGV-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.90
Rot. Bonds3

About but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 67712384) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Namebut-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID67712384
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Namebut-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCC1OC2(CCN(C)CC2)CC1N(C)C.O=C(O)C=CC(=O)O
InChIInChI=1S/C12H24N2O.C4H4O4/c1-10-11(13(2)3)9-12(15-10)5-7-14(4)8-6-12;5-3(6)1-2-4(7)8/h10-11H,5-9H2,1-4H3;1-2H,(H,5,6)(H,7,8)
InChIKeyRUVZFOJDMQVRGV-UHFFFAOYSA-N
XLogP0.90
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 67712384) is but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CC1OC2(CCN(C)CC2)CC1N(C)C.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is RUVZFOJDMQVRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C4H4O4/c1-10-11(13(2)3)9-12(15-10)5-7-14(4)8-6-12;5-3(6)1-2-4(7)8/h10-11H,5-9H2,1-4H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 328.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 67712384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).