N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

C13H25NO — CID 102896610

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-2-3-10-14-11-12-6-9-13(15-12)7-4-5-8-13/h12,14H,2-11H2,1H3
InChIKeyJNKMGIBYERFOSD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (PubChem CID 102896610) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
PubChem CID102896610
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO/c1-2-3-10-14-11-12-6-9-13(15-12)7-4-5-8-13/h12,14H,2-11H2,1H3
InChIKeyJNKMGIBYERFOSD-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (CID 102896610) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is CCCCNCC1CCC2(CCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The InChIKey is JNKMGIBYERFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-10-14-11-12-6-9-13(15-12)7-4-5-8-13/h12,14H,2-11H2,1H3.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102896610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).