N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H27NO2 — CID 79903372

IUPACN-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC1CCC(NC2CCOC3(CCOC3)C2)C1C
InChIInChI=1S/C15H27NO2/c1-11-3-4-14(12(11)2)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyLGPADINJQBFWMT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903372) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903372
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCC1CCC(NC2CCOC3(CCOC3)C2)C1C
InChIInChI=1S/C15H27NO2/c1-11-3-4-14(12(11)2)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyLGPADINJQBFWMT-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 80721035
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903293
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903372) is N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine is CC1CCC(NC2CCOC3(CCOC3)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LGPADINJQBFWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-3-4-14(12(11)2)16-13-5-7-18-15(9-13)6-8-17-10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).