2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile

C16H21N3O — CID 107203739

IUPAC2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile
SMILESCN(CCCCCO)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C16H21N3O/c1-18(8-4-2-6-10-20)12-14-13-19-9-5-3-7-16(19)15(14)11-17/h3,5,7,9,13,20H,2,4,6,8,10,12H2,1H3
InChIKeyJWWHGZAHUJVYOA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.41
Rot. Bonds7

About 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile

2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile (PubChem CID 107203739) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile
PubChem CID107203739
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile
SMILESCN(CCCCCO)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C16H21N3O/c1-18(8-4-2-6-10-20)12-14-13-19-9-5-3-7-16(19)15(14)11-17/h3,5,7,9,13,20H,2,4,6,8,10,12H2,1H3
InChIKeyJWWHGZAHUJVYOA-UHFFFAOYSA-N
XLogP2.41
TPSA51.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[[benzhydryl(3-hydroxypropyl)amino]methyl]indolizine-1-carbonitrile
CID 56584022
2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
CID 51075149
2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
CID 18133543
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]indolizine-1-carbonitrile
CID 111107834
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
CID 134011008
2-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]indolizine-1-carbonitrile
CID 16605553
2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
CID 99613524
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134036744
2-(iodomethyl)indolizine-1-carbonitrile
CID 64786804
2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
CID 95783884

Frequently Asked Questions

What is the IUPAC name of 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile (CID 107203739) is 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile is CN(CCCCCO)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile?
The InChIKey is JWWHGZAHUJVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(8-4-2-6-10-20)12-14-13-19-9-5-3-7-16(19)15(14)11-17/h3,5,7,9,13,20H,2,4,6,8,10,12H2,1H3.
What are the key properties of 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile?
2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 107203739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).