methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde

C18H26N4O2S — CID 170747553

IUPACmethanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN.CN1CCOC2(CCN(c3ccc4cc(C=O)sc4n3)CC2)C1
InChIInChI=1S/C17H21N3O2S.CH5N/c1-19-8-9-22-17(12-19)4-6-20(7-5-17)15-3-2-13-10-14(11-21)23-16(13)18-15;1-2/h2-3,10-11H,4-9,12H2,1H3;2H2,1H3
InChIKeyLVWFUZPHTIYFTI-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.98
Rot. Bonds2

About methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde

methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 170747553) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Namemethanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID170747553
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Namemethanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN.CN1CCOC2(CCN(c3ccc4cc(C=O)sc4n3)CC2)C1
InChIInChI=1S/C17H21N3O2S.CH5N/c1-19-8-9-22-17(12-19)4-6-20(7-5-17)15-3-2-13-10-14(11-21)23-16(13)18-15;1-2/h2-3,10-11H,4-9,12H2,1H3;2H2,1H3
InChIKeyLVWFUZPHTIYFTI-UHFFFAOYSA-N
XLogP1.98
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 177202429
6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
CID 177202616
9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138385159
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783
5-(1,7-diazaspiro[3.4]octan-7-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde;methanamine
CID 177202560
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
N,N,3-trimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine
CID 170747520
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 177202580

Frequently Asked Questions

What is the IUPAC name of methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde (CID 170747553) is methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde is CN.CN1CCOC2(CCN(c3ccc4cc(C=O)sc4n3)CC2)C1.
What is the InChIKey of methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is LVWFUZPHTIYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.CH5N/c1-19-8-9-22-17(12-19)4-6-20(7-5-17)15-3-2-13-10-14(11-21)23-16(13)18-15;1-2/h2-3,10-11H,4-9,12H2,1H3;2H2,1H3.
What are the key properties of methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 362.50 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170747553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).