N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine

C17H31NO — CID 79895018

IUPACN-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCC1CCC(NC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H31NO/c1-2-4-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-11-17/h14-16,18H,2-13H2,1H3
InChIKeyFOQTZFRIIWBVMP-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds4

About N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine

N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895018) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895018
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCC1CCC(NC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H31NO/c1-2-4-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-11-17/h14-16,18H,2-13H2,1H3
InChIKeyFOQTZFRIIWBVMP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688
N-(3-methylpentan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 106329063
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426

Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895018) is N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine is CCCC1CCC(NC2CCOC3(CCC3)C2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is FOQTZFRIIWBVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-4-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-11-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).