N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C17H31NO2 — CID 103791803

IUPACN-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H31NO2/c1-14(15-5-10-19-11-6-15)18-16-7-12-20-17(13-16)8-3-2-4-9-17/h14-16,18H,2-13H2,1H3
InChIKeyYVFVGZKFQUKPEF-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 103791803) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID103791803
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(NC1CCOC2(CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H31NO2/c1-14(15-5-10-19-11-6-15)18-16-7-12-20-17(13-16)8-3-2-4-9-17/h14-16,18H,2-13H2,1H3
InChIKeyYVFVGZKFQUKPEF-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 103791803) is N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is CC(NC1CCOC2(CCCCC2)C1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is YVFVGZKFQUKPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(15-5-10-19-11-6-15)18-16-7-12-20-17(13-16)8-3-2-4-9-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 103791803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).