2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile

C16H21N3O2 — CID 134011008

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCOCCN(CCOC)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C16H21N3O2/c1-20-9-7-18(8-10-21-2)12-14-13-19-6-4-3-5-16(19)15(14)11-17/h3-6,13H,7-10,12H2,1-2H3
InChIKeyXIHZZEBCESUOLC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.91
Rot. Bonds8

About 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile

2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile (PubChem CID 134011008) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
PubChem CID134011008
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCOCCN(CCOC)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C16H21N3O2/c1-20-9-7-18(8-10-21-2)12-14-13-19-6-4-3-5-16(19)15(14)11-17/h3-6,13H,7-10,12H2,1-2H3
InChIKeyXIHZZEBCESUOLC-UHFFFAOYSA-N
XLogP1.91
TPSA49.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-cyanoindolizin-2-yl)methyl-methylamino]propanoate
CID 62012449
2-[[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]indolizine-1-carbonitrile
CID 111022256
2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile
CID 107203739
2-(iodomethyl)indolizine-1-carbonitrile
CID 64786804
2-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]indolizine-1-carbonitrile
CID 16605553
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]indolizine-1-carbonitrile
CID 111107834
2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
CID 18133543
2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
CID 95783884
2-[[benzhydryl(3-hydroxypropyl)amino]methyl]indolizine-1-carbonitrile
CID 56584022
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134036744
2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile
CID 60805941

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile (CID 134011008) is 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile is COCCN(CCOC)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile?
The InChIKey is XIHZZEBCESUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-9-7-18(8-10-21-2)12-14-13-19-6-4-3-5-16(19)15(14)11-17/h3-6,13H,7-10,12H2,1-2H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile?
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile has a molecular weight of 287.36 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 134011008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).