1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide

C13H25N5O2 — CID 111117487

IUPAC1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNC(=NCC(=O)N1CCCC1C(=O)NC)NCC
InChIInChI=1S/C13H25N5O2/c1-4-15-13(16-5-2)17-9-11(19)18-8-6-7-10(18)12(20)14-3/h10H,4-9H2,1-3H3,(H,14,20)(H2,15,16,17)
InChIKeyOAYIVXSGANFWEI-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.70
Rot. Bonds5

About 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 111117487) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID111117487
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNC(=NCC(=O)N1CCCC1C(=O)NC)NCC
InChIInChI=1S/C13H25N5O2/c1-4-15-13(16-5-2)17-9-11(19)18-8-6-7-10(18)12(20)14-3/h10H,4-9H2,1-3H3,(H,14,20)(H2,15,16,17)
InChIKeyOAYIVXSGANFWEI-UHFFFAOYSA-N
XLogP-0.70
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
2-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112685367
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 111117487) is 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide is CCNC(=NCC(=O)N1CCCC1C(=O)NC)NCC.
What is the InChIKey of 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OAYIVXSGANFWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-15-13(16-5-2)17-9-11(19)18-8-6-7-10(18)12(20)14-3/h10H,4-9H2,1-3H3,(H,14,20)(H2,15,16,17).
What are the key properties of 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 111117487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).