N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H27NO2 — CID 43317686

IUPACN-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H27NO2/c1-12-3-2-4-14(11-12)16-13-5-7-15(8-6-13)17-9-10-18-15/h12-14,16H,2-11H2,1H3
InChIKeySVJFKZOBFOVKDP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds2

About N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43317686) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43317686
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H27NO2/c1-12-3-2-4-14(11-12)16-13-5-7-15(8-6-13)17-9-10-18-15/h12-14,16H,2-11H2,1H3
InChIKeySVJFKZOBFOVKDP-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43317686) is N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1CCCC(NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SVJFKZOBFOVKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-3-2-4-14(11-12)16-13-5-7-15(8-6-13)17-9-10-18-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 253.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43317686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).