N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol

C31H48N2O4 — CID 145294062

IUPACN-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCNC(C)(C)C.O=CO.OC1CCCc2ccccc21.c1ccc(C2CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C14H19NO.C10H12O.C6H15N.CH2O2/c1-4-9-15-13(5-1)12-6-10-16-14(11-12)7-2-3-8-14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-7-6(2,3)4;2-1-3/h1,4-5,9,12H,2-3,6-8,10-11H2;1-2,4,6,10-11H,3,5,7H2;7H,5H2,1-4H3;1H,(H,2,3)
InChIKeyZKJPRHBBXAGOLR-UHFFFAOYSA-N
MW512.74 g/mol
LogP6.44
Rot. Bonds2

About N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol

N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 145294062) has the molecular formula C31H48N2O4 and a molecular weight of 512.74 g/mol. Its IUPAC name is N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound NameN-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID145294062
Molecular FormulaC31H48N2O4
Molecular Weight512.74 g/mol
Exact Mass512.36
IUPAC NameN-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCNC(C)(C)C.O=CO.OC1CCCc2ccccc21.c1ccc(C2CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C14H19NO.C10H12O.C6H15N.CH2O2/c1-4-9-15-13(5-1)12-6-10-16-14(11-12)7-2-3-8-14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-7-6(2,3)4;2-1-3/h1,4-5,9,12H,2-3,6-8,10-11H2;1-2,4,6,10-11H,3,5,7H2;7H,5H2,1-4H3;1H,(H,2,3)
InChIKeyZKJPRHBBXAGOLR-UHFFFAOYSA-N
XLogP6.44
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol (CID 145294062) is N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol is CCNC(C)(C)C.O=CO.OC1CCCc2ccccc21.c1ccc(C2CCOC3(CCCC3)C2)nc1.
What is the InChIKey of N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is ZKJPRHBBXAGOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C10H12O.C6H15N.CH2O2/c1-4-9-15-13(5-1)12-6-10-16-14(11-12)7-2-3-8-14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-7-6(2,3)4;2-1-3/h1,4-5,9,12H,2-3,6-8,10-11H2;1-2,4,6,10-11H,3,5,7H2;7H,5H2,1-4H3;1H,(H,2,3).
What are the key properties of N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol?
N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 512.74 g/mol, XLogP of 6.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropan-2-amine;formic acid;2-(6-oxaspiro[4.5]decan-9-yl)pyridine;1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 145294062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).