N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine

C13H23NO2 — CID 130670326

IUPACN-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESCCC1CCC1NC1CCC2(C1)OCCO2
InChIInChI=1S/C13H23NO2/c1-2-10-3-4-12(10)14-11-5-6-13(9-11)15-7-8-16-13/h10-12,14H,2-9H2,1H3
InChIKeyIQVVWZFPIKYCBB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine

N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine (PubChem CID 130670326) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound NameN-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
PubChem CID130670326
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESCCC1CCC1NC1CCC2(C1)OCCO2
InChIInChI=1S/C13H23NO2/c1-2-10-3-4-12(10)14-11-5-6-13(9-11)15-7-8-16-13/h10-12,14H,2-9H2,1H3
InChIKeyIQVVWZFPIKYCBB-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130609525
2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
CID 115897076
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine
CID 64920561
N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 64922154
3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
CID 131160483
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
N-(2-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43194980
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130709610
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-(methylamino)acetamide
CID 130905377
N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 130847982
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The IUPAC name of N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine (CID 130670326) is N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine.
What is the SMILES notation for N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The canonical SMILES for N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine is CCC1CCC1NC1CCC2(C1)OCCO2.
What is the InChIKey of N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The InChIKey is IQVVWZFPIKYCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-3-4-12(10)14-11-5-6-13(9-11)15-7-8-16-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine has a molecular weight of 225.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 130670326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).