(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C14H23NO2 — CID 116598404

IUPAC(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C14H23NO2/c15-14(7-3-8-14)12(16)11-4-9-17-13(10-11)5-1-2-6-13/h11H,1-10,15H2
InChIKeySWMQBPHWWMJKSC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.18
Rot. Bonds2

About (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 116598404) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID116598404
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C14H23NO2/c15-14(7-3-8-14)12(16)11-4-9-17-13(10-11)5-1-2-6-13/h11H,1-10,15H2
InChIKeySWMQBPHWWMJKSC-UHFFFAOYSA-N
XLogP2.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 116598404) is (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is NC1(C(=O)C2CCOC3(CCCC3)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is SWMQBPHWWMJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-14(7-3-8-14)12(16)11-4-9-17-13(10-11)5-1-2-6-13/h11H,1-10,15H2.
What are the key properties of (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116598404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).