N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine

C13H23NO — CID 114616860

IUPACN-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
SMILESC=C(C)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO/c1-11(2)10-14-12-5-8-15-13(9-12)6-3-4-7-13/h12,14H,1,3-10H2,2H3
InChIKeySVVRNTNSVDJSRN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds3

About N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 114616860) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID114616860
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
SMILESC=C(C)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO/c1-11(2)10-14-12-5-8-15-13(9-12)6-3-4-7-13/h12,14H,1,3-10H2,2H3
InChIKeySVVRNTNSVDJSRN-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine (CID 114616860) is N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine is C=C(C)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is SVVRNTNSVDJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)10-14-12-5-8-15-13(9-12)6-3-4-7-13/h12,14H,1,3-10H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 114616860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).