N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile

C17H26N4O2 — CID 66763203

IUPACN-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCNC.N#C[C@@H]1CCCN1C(=O)CNCCOc1ccccc1
InChIInChI=1S/C15H19N3O2.C2H7N/c16-11-13-5-4-9-18(13)15(19)12-17-8-10-20-14-6-2-1-3-7-14;1-3-2/h1-3,6-7,13,17H,4-5,8-10,12H2;3H,1-2H3/t13-;/m0./s1
InChIKeyPEZGMGMHHDKAAL-ZOWNYOTGSA-N
MW318.42 g/mol
LogP1.01
Rot. Bonds6

About N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile

N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 66763203) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound NameN-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID66763203
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCNC.N#C[C@@H]1CCCN1C(=O)CNCCOc1ccccc1
InChIInChI=1S/C15H19N3O2.C2H7N/c16-11-13-5-4-9-18(13)15(19)12-17-8-10-20-14-6-2-1-3-7-14;1-3-2/h1-3,6-7,13,17H,4-5,8-10,12H2;3H,1-2H3/t13-;/m0./s1
InChIKeyPEZGMGMHHDKAAL-ZOWNYOTGSA-N
XLogP1.01
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-isocyanopyrrolidin-1-yl]-2-(2-phenoxyethylamino)ethanone;hydrochloride
CID 160685176
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
CID 68684792
(2S)-1-[2-[3-(2-phenyl-1H-imidazol-5-yl)propylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763331
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
(2S)-1-[2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66762942
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
1-[2-[2-[[6-(3-methoxyphenyl)-2-pyridinyl]amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 22563384
oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 56670496
1-[2-[2-[[6-(2-methoxyphenyl)-2-pyridinyl]amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 22563300
2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
CID 69032484

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile (CID 66763203) is N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile is CNC.N#C[C@@H]1CCCN1C(=O)CNCCOc1ccccc1.
What is the InChIKey of N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is PEZGMGMHHDKAAL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H19N3O2.C2H7N/c16-11-13-5-4-9-18(13)15(19)12-17-8-10-20-14-6-2-1-3-7-14;1-3-2/h1-3,6-7,13,17H,4-5,8-10,12H2;3H,1-2H3/t13-;/m0./s1.
What are the key properties of N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile?
N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 318.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 66763203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).