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

C15H27NO2 — CID 79898486

IUPACN-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CCC(CNC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C15H27NO2/c1-2-4-13(5-3-1)11-16-14-6-8-18-15(10-14)7-9-17-12-15/h13-14,16H,1-12H2
InChIKeyJEMJZTLKUXKRFS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

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

N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79898486) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79898486
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC1CCC(CNC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C15H27NO2/c1-2-4-13(5-3-1)11-16-14-6-8-18-15(10-14)7-9-17-12-15/h13-14,16H,1-12H2
InChIKeyJEMJZTLKUXKRFS-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-cyclopentyloxy-2,6-dioxaspiro[4.5]decan-9-amine
CID 83229706
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79898486) is N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is C1CCC(CNC2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is JEMJZTLKUXKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-4-13(5-3-1)11-16-14-6-8-18-15(10-14)7-9-17-12-15/h13-14,16H,1-12H2.
What are the key properties of N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).