formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde

C27H43N3O5 — CID 168931255

IUPACformaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde
SMILESC=O.CC(C)N1C=CCC(C=O)=C1.CO.COc1ccc2c(CCN(C)C)cn(C(C)OC)c2c1
InChIInChI=1S/C16H24N2O2.C9H13NO.CH4O.CH2O/c1-12(19-4)18-11-13(8-9-17(2)3)15-7-6-14(20-5)10-16(15)18;1-8(2)10-5-3-4-9(6-10)7-11;2*1-2/h6-7,10-12H,8-9H2,1-5H3;3,5-8H,4H2,1-2H3;2H,1H3;1H2
InChIKeyVIXDJZWHBLTVAB-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.04
Rot. Bonds8

About formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde

formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde (PubChem CID 168931255) has the molecular formula C27H43N3O5 and a molecular weight of 489.66 g/mol. Its IUPAC name is formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Nameformaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde
PubChem CID168931255
Molecular FormulaC27H43N3O5
Molecular Weight489.66 g/mol
Exact Mass489.32
IUPAC Nameformaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde
SMILESC=O.CC(C)N1C=CCC(C=O)=C1.CO.COc1ccc2c(CCN(C)C)cn(C(C)OC)c2c1
InChIInChI=1S/C16H24N2O2.C9H13NO.CH4O.CH2O/c1-12(19-4)18-11-13(8-9-17(2)3)15-7-6-14(20-5)10-16(15)18;1-8(2)10-5-3-4-9(6-10)7-11;2*1-2/h6-7,10-12H,8-9H2,1-5H3;3,5-8H,4H2,1-2H3;2H,1H3;1H2
InChIKeyVIXDJZWHBLTVAB-UHFFFAOYSA-N
XLogP4.04
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
CID 168930990
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
3-(6-methoxy-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117122358
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
[1-(dimethylamino)-2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl] formate
CID 166467618
3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
CID 171520765
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
methyl 2-[[[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-methoxyphosphoryl]amino]-3-methylbutanoate
CID 168931284

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde?
The IUPAC name of formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde (CID 168931255) is formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde.
What is the SMILES notation for formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde?
The canonical SMILES for formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde is C=O.CC(C)N1C=CCC(C=O)=C1.CO.COc1ccc2c(CCN(C)C)cn(C(C)OC)c2c1.
What is the InChIKey of formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde?
The InChIKey is VIXDJZWHBLTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C9H13NO.CH4O.CH2O/c1-12(19-4)18-11-13(8-9-17(2)3)15-7-6-14(20-5)10-16(15)18;1-8(2)10-5-3-4-9(6-10)7-11;2*1-2/h6-7,10-12H,8-9H2,1-5H3;3,5-8H,4H2,1-2H3;2H,1H3;1H2.
What are the key properties of formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde?
formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde has a molecular weight of 489.66 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde is sourced from PubChem (CID 168931255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).