2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide

C19H31N5O — CID 145312573

IUPAC2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide
SMILESC/C=C1C(=C/C)\N(/C(=N/C=N/CC)C(C)/N=C(\C)C(N)=O)CC\1(C)C
InChIInChI=1S/C19H31N5O/c1-8-15-16(9-2)24(11-19(15,6)7)18(22-12-21-10-3)14(5)23-13(4)17(20)25/h8-9,12,14H,10-11H2,1-7H3,(H2,20,25)/b15-8+,16-9+,21-12+,22-18+,23-13+
InChIKeyAOICCRMAJXXZMB-RVVUPBSKSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide

2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide (PubChem CID 145312573) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide.

Molecular Properties

Compound Name2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide
PubChem CID145312573
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide
SMILESC/C=C1C(=C/C)\N(/C(=N/C=N/CC)C(C)/N=C(\C)C(N)=O)CC\1(C)C
InChIInChI=1S/C19H31N5O/c1-8-15-16(9-2)24(11-19(15,6)7)18(22-12-21-10-3)14(5)23-13(4)17(20)25/h8-9,12,14H,10-11H2,1-7H3,(H2,20,25)/b15-8+,16-9+,21-12+,22-18+,23-13+
InChIKeyAOICCRMAJXXZMB-RVVUPBSKSA-N
XLogP2.96
TPSA83.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
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

2-(ethyliminomethylimino)propanamide
CID 90245736
N-(ethyliminomethyl)ethanimidoyl chloride
CID 164996228
ethyl (4E)-4-ethylidene-2,5,5-trimethyl-6H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 51039584
2,5-dimethylhept-2-enamide
CID 140547183
(E)-2,3-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
CID 6437431
ethyl 2-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63610423
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
ethyl 2-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756372
(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide
CID 162587125
ethane;1-(2-ethyl-4,4-difluoropyrrolidin-1-yl)prop-2-en-1-one
CID 145368573
dichloro(propyl)silane;prop-2-enamide
CID 159453963
(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide?
The IUPAC name of 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide (CID 145312573) is 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide.
What is the SMILES notation for 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide?
The canonical SMILES for 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide is C/C=C1C(=C/C)\N(/C(=N/C=N/CC)C(C)/N=C(\C)C(N)=O)CC\1(C)C.
What is the InChIKey of 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide?
The InChIKey is AOICCRMAJXXZMB-RVVUPBSKSA-N. The full InChI is InChI=1S/C19H31N5O/c1-8-15-16(9-2)24(11-19(15,6)7)18(22-12-21-10-3)14(5)23-13(4)17(20)25/h8-9,12,14H,10-11H2,1-7H3,(H2,20,25)/b15-8+,16-9+,21-12+,22-18+,23-13+.
What are the key properties of 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide?
2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide is sourced from PubChem (CID 145312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).