N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine

C15H29NO2 — CID 114244636

IUPACN-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine
SMILESCOCCCCCNC1CCCC12CCOCC2
InChIInChI=1S/C15H29NO2/c1-17-11-4-2-3-10-16-14-6-5-7-15(14)8-12-18-13-9-15/h14,16H,2-13H2,1H3
InChIKeyVXTJSIDLBVNPMQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

About N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine

N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244636) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244636
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine
SMILESCOCCCCCNC1CCCC12CCOCC2
InChIInChI=1S/C15H29NO2/c1-17-11-4-2-3-10-16-14-6-5-7-15(14)8-12-18-13-9-15/h14,16H,2-13H2,1H3
InChIKeyVXTJSIDLBVNPMQ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine
CID 165451821
5-methoxy-N-[(4-methyloxan-4-yl)methyl]pentan-1-amine
CID 104586141
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
N-(3,3-dimethylbutan-2-yl)-8-oxaspiro[4.5]decan-4-amine
CID 114244596
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244542
(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 100736254
N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine
CID 114244609
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244544
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine (CID 114244636) is N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine is COCCCCCNC1CCCC12CCOCC2.
What is the InChIKey of N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is VXTJSIDLBVNPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-17-11-4-2-3-10-16-14-6-5-7-15(14)8-12-18-13-9-15/h14,16H,2-13H2,1H3.
What are the key properties of N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine?
N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).