N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine

C12H23NO — CID 79898518

IUPACN-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)9-13-11-4-7-14-12(8-11)5-3-6-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJWUGBSIMAVYPON-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79898518) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79898518
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)CNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)9-13-11-4-7-14-12(8-11)5-3-6-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJWUGBSIMAVYPON-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
N-(2-methoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 102698037
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79898518) is N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine is CC(C)CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is JWUGBSIMAVYPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-13-11-4-7-14-12(8-11)5-3-6-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79898518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).