3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde

C12H20N2O2 — CID 146475839

IUPAC3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde
SMILESO=CN1CCC2(CC1)CC(NC1CC1)CO2
InChIInChI=1S/C12H20N2O2/c15-9-14-5-3-12(4-6-14)7-11(8-16-12)13-10-1-2-10/h9-11,13H,1-8H2
InChIKeyBQRZAVBJOQRGDE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.52
Rot. Bonds3

About 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde

3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde (PubChem CID 146475839) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde
PubChem CID146475839
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde
SMILESO=CN1CCC2(CC1)CC(NC1CC1)CO2
InChIInChI=1S/C12H20N2O2/c15-9-14-5-3-12(4-6-14)7-11(8-16-12)13-10-1-2-10/h9-11,13H,1-8H2
InChIKeyBQRZAVBJOQRGDE-UHFFFAOYSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 146475898
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide
CID 146475817
8-(2-chloro-4-methylphenyl)sulfanyl-N-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 170120146
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585245
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645
3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527325
N-[(3R,4S)-4-methyl-1,1-dioxothiolan-3-yl]-5-oxaspiro[3.4]octan-7-amine
CID 167892239
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde (CID 146475839) is 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde is O=CN1CCC2(CC1)CC(NC1CC1)CO2.
What is the InChIKey of 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde?
The InChIKey is BQRZAVBJOQRGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-9-14-5-3-12(4-6-14)7-11(8-16-12)13-10-1-2-10/h9-11,13H,1-8H2.
What are the key properties of 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde?
3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde has a molecular weight of 224.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 146475839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).