1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione

C23H45N5O2 — CID 139392995

IUPAC1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione
SMILESCC(C1CC(=O)N(CCNCCNCCNCCN)C1=O)C1(C)CC1(C)C(C)(C)C
InChIInChI=1S/C23H45N5O2/c1-17(22(5)16-23(22,6)21(2,3)4)18-15-19(29)28(20(18)30)14-13-27-12-11-26-10-9-25-8-7-24/h17-18,25-27H,7-16,24H2,1-6H3
InChIKeyJQDNHGKNYFSGMW-UHFFFAOYSA-N
MW423.65 g/mol
LogP1.19
Rot. Bonds13

About 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione

1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 139392995) has the molecular formula C23H45N5O2 and a molecular weight of 423.65 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione
PubChem CID139392995
Molecular FormulaC23H45N5O2
Molecular Weight423.65 g/mol
Exact Mass423.36
IUPAC Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione
SMILESCC(C1CC(=O)N(CCNCCNCCNCCN)C1=O)C1(C)CC1(C)C(C)(C)C
InChIInChI=1S/C23H45N5O2/c1-17(22(5)16-23(22,6)21(2,3)4)18-15-19(29)28(20(18)30)14-13-27-12-11-26-10-9-25-8-7-24/h17-18,25-27H,7-16,24H2,1-6H3
InChIKeyJQDNHGKNYFSGMW-UHFFFAOYSA-N
XLogP1.19
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-[2-(2-hydroxyethylamino)ethyl]-3-(2,4,4,6,6-pentamethylhept-1-en-3-yl)pyrrolidine-2,5-dione
CID 59307219
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2-propan-2-ylhexanal
CID 140661114
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
CID 101132520
1-[2-[2-[2-[2-(3-dotetracontyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
CID 101132594
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
CID 90684404
18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid
CID 164802056
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione
CID 6441938

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione (CID 139392995) is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione is CC(C1CC(=O)N(CCNCCNCCNCCN)C1=O)C1(C)CC1(C)C(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is JQDNHGKNYFSGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O2/c1-17(22(5)16-23(22,6)21(2,3)4)18-15-19(29)28(20(18)30)14-13-27-12-11-26-10-9-25-8-7-24/h17-18,25-27H,7-16,24H2,1-6H3.
What are the key properties of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione?
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 423.65 g/mol, XLogP of 1.19, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-tert-butyl-1,2-dimethylcyclopropyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139392995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).