N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine

C15H27NO — CID 114108180

IUPACN-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC1CC1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-2-12-10-14(12)16-13-6-9-17-15(11-13)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3
InChIKeyUJLACNNRHRVWDT-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds3

About N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 114108180) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID114108180
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCC1CC1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-2-12-10-14(12)16-13-6-9-17-15(11-13)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3
InChIKeyUJLACNNRHRVWDT-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79897645
N-(2-propylcyclopropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114110785
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-(1-ethylcyclobutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113488726
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine (CID 114108180) is N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine is CCC1CC1NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is UJLACNNRHRVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-12-10-14(12)16-13-6-9-17-15(11-13)7-4-3-5-8-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 114108180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).