ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine

C16H28N2O2 — CID 143920429

IUPACethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
SMILESCC.CNC.COc1cccc(C=O)c1N1CCCC1
InChIInChI=1S/C12H15NO2.C2H7N.C2H6/c1-15-11-6-4-5-10(9-14)12(11)13-7-2-3-8-13;1-3-2;1-2/h4-6,9H,2-3,7-8H2,1H3;3H,1-2H3;1-2H3
InChIKeyRUDNVDLYSLWJKJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.97
Rot. Bonds3

About ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine

ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine (PubChem CID 143920429) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine.

Molecular Properties

Compound Nameethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
PubChem CID143920429
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
SMILESCC.CNC.COc1cccc(C=O)c1N1CCCC1
InChIInChI=1S/C12H15NO2.C2H7N.C2H6/c1-15-11-6-4-5-10(9-14)12(11)13-7-2-3-8-13;1-3-2;1-2/h4-6,9H,2-3,7-8H2,1H3;3H,1-2H3;1-2H3
InChIKeyRUDNVDLYSLWJKJ-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
CID 76782314
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxybenzaldehyde
CID 58423243
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methoxybenzaldehyde
CID 88880264
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983156
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-[(3R)-3-aminopiperidin-1-yl]-3-ethoxybenzaldehyde
CID 89110220
2-hydroxy-3-methoxybenzaldehyde
CID 8991
(E)-N-[4-(azepan-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7582196
2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde
CID 154261138
methyl 2-formyl-6-methoxybenzoate
CID 12730360

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine?
The IUPAC name of ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine (CID 143920429) is ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine.
What is the SMILES notation for ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine?
The canonical SMILES for ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine is CC.CNC.COc1cccc(C=O)c1N1CCCC1.
What is the InChIKey of ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine?
The InChIKey is RUDNVDLYSLWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H7N.C2H6/c1-15-11-6-4-5-10(9-14)12(11)13-7-2-3-8-13;1-3-2;1-2/h4-6,9H,2-3,7-8H2,1H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine?
ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine is sourced from PubChem (CID 143920429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).