N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine

C17H31NO2 — CID 79894869

IUPACN-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCCC1CCC(NC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-4-6-15(7-5-14)18-16-8-10-20-17(12-16)9-11-19-13-17/h14-16,18H,2-13H2,1H3
InChIKeyCXHAIEIRVWHEJA-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds4

About N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79894869) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79894869
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCCC1CCC(NC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-4-6-15(7-5-14)18-16-8-10-20-17(12-16)9-11-19-13-17/h14-16,18H,2-13H2,1H3
InChIKeyCXHAIEIRVWHEJA-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-(2-propylcyclopropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114110785
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903293
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576

Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79894869) is N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is CCCC1CCC(NC2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is CXHAIEIRVWHEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-14-4-6-15(7-5-14)18-16-8-10-20-17(12-16)9-11-19-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).