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

C16H29NO2 — CID 79903293

IUPACN-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC1CCCC(NC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H29NO2/c1-2-13-4-3-5-14(10-13)17-15-6-8-19-16(11-15)7-9-18-12-16/h13-15,17H,2-12H2,1H3
InChIKeyHYSTYYOKSAGMRY-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds3

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

N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903293) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903293
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCC1CCCC(NC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H29NO2/c1-2-13-4-3-5-14(10-13)17-15-6-8-19-16(11-15)7-9-18-12-16/h13-15,17H,2-12H2,1H3
InChIKeyHYSTYYOKSAGMRY-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N-(3-ethylcyclohexyl)oxan-4-amine
CID 82760225
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(2-propylcyclopropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114110785
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
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-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903293) is N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is CCC1CCCC(NC2CCOC3(CCOC3)C2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is HYSTYYOKSAGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-13-4-3-5-14(10-13)17-15-6-8-19-16(11-15)7-9-18-12-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 267.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).