N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine

C16H29NO — CID 113488726

IUPACN-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC1(NC2CCOC3(CCCCC3)C2)CCC1
InChIInChI=1S/C16H29NO/c1-2-15(8-6-9-15)17-14-7-12-18-16(13-14)10-4-3-5-11-16/h14,17H,2-13H2,1H3
InChIKeyIGNYBWAADYRRRU-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.79
Rot. Bonds3

About N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine

N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 113488726) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID113488726
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC1(NC2CCOC3(CCCCC3)C2)CCC1
InChIInChI=1S/C16H29NO/c1-2-15(8-6-9-15)17-14-7-12-18-16(13-14)10-4-3-5-11-16/h14,17H,2-13H2,1H3
InChIKeyIGNYBWAADYRRRU-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine (CID 113488726) is N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine is CCC1(NC2CCOC3(CCCCC3)C2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is IGNYBWAADYRRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-15(8-6-9-15)17-14-7-12-18-16(13-14)10-4-3-5-11-16/h14,17H,2-13H2,1H3.
What are the key properties of N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 113488726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).