2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile

C15H19N3O — CID 95576060

IUPAC2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
SMILESCOC[C@H](C)N(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H19N3O/c1-12(11-19-3)17(2)9-13-10-18-7-5-4-6-15(18)14(13)8-16/h4-7,10,12H,9,11H2,1-3H3/t12-/m0/s1
InChIKeyPHHWBOBNAJTBSD-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile

2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile (PubChem CID 95576060) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
PubChem CID95576060
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
SMILESCOC[C@H](C)N(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H19N3O/c1-12(11-19-3)17(2)9-13-10-18-7-5-4-6-15(18)14(13)8-16/h4-7,10,12H,9,11H2,1-3H3/t12-/m0/s1
InChIKeyPHHWBOBNAJTBSD-LBPRGKRZSA-N
XLogP2.28
TPSA40.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile (CID 95576060) is 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile is COC[C@H](C)N(C)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile?
The InChIKey is PHHWBOBNAJTBSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(11-19-3)17(2)9-13-10-18-7-5-4-6-15(18)14(13)8-16/h4-7,10,12H,9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile?
2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-1-methoxypropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95576060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).