1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C18H34N2O — CID 114830560

IUPAC1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC3(CCCC3)CC2)C1(C)C
InChIInChI=1S/C18H34N2O/c1-4-21-15-13-18(19,16(15,2)3)14-20-11-9-17(10-12-20)7-5-6-8-17/h15H,4-14,19H2,1-3H3
InChIKeyGRLPRPDXUMFTFP-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.18
Rot. Bonds4

About 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830560) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID114830560
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC3(CCCC3)CC2)C1(C)C
InChIInChI=1S/C18H34N2O/c1-4-21-15-13-18(19,16(15,2)3)14-20-11-9-17(10-12-20)7-5-6-8-17/h15H,4-14,19H2,1-3H3
InChIKeyGRLPRPDXUMFTFP-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 107456220
3-ethoxy-1-[(3-methoxypyrrolidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 103534678
3-ethoxy-1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 106587370
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674
3-ethoxy-1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830648
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830217
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 114830457
3-ethoxy-1-[[(1-ethylcyclobutyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830783
1-[(2,5-dimethylpiperidin-1-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 114830668
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
CID 114830305

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 114830560) is 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN2CCC3(CCCC3)CC2)C1(C)C.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is GRLPRPDXUMFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-21-15-13-18(19,16(15,2)3)14-20-11-9-17(10-12-20)7-5-6-8-17/h15H,4-14,19H2,1-3H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).