bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium

C14H29N8O5+ — CID 91317481

IUPACbis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium
SMILESNC(=O)CNCC[N+](CCN(CC(N)=O)CC(N)=O)(CC(N)=O)CC(N)=O
InChIInChI=1S/C14H28N8O5/c15-10(23)5-20-1-3-22(8-13(18)26,9-14(19)27)4-2-21(6-11(16)24)7-12(17)25/h20H,1-9H2,(H9-,15,16,17,18,19,23,24,25,26,27)/p+1
InChIKeyLALNOVWTPFUECJ-UHFFFAOYSA-O
MW389.44 g/mol
LogP-5.88
Rot. Bonds16

About bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium

bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium (PubChem CID 91317481) has the molecular formula C14H29N8O5+ and a molecular weight of 389.44 g/mol. Its IUPAC name is bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium.

Molecular Properties

Compound Namebis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium
PubChem CID91317481
Molecular FormulaC14H29N8O5+
Molecular Weight389.44 g/mol
Exact Mass389.23
IUPAC Namebis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium
SMILESNC(=O)CNCC[N+](CCN(CC(N)=O)CC(N)=O)(CC(N)=O)CC(N)=O
InChIInChI=1S/C14H28N8O5/c15-10(23)5-20-1-3-22(8-13(18)26,9-14(19)27)4-2-21(6-11(16)24)7-12(17)25/h20H,1-9H2,(H9-,15,16,17,18,19,23,24,25,26,27)/p+1
InChIKeyLALNOVWTPFUECJ-UHFFFAOYSA-O
XLogP-5.88
TPSA230.72 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 5-5.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium?
The IUPAC name of bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium (CID 91317481) is bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium.
What is the SMILES notation for bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium?
The canonical SMILES for bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium is NC(=O)CNCC[N+](CCN(CC(N)=O)CC(N)=O)(CC(N)=O)CC(N)=O.
What is the InChIKey of bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium?
The InChIKey is LALNOVWTPFUECJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H28N8O5/c15-10(23)5-20-1-3-22(8-13(18)26,9-14(19)27)4-2-21(6-11(16)24)7-12(17)25/h20H,1-9H2,(H9-,15,16,17,18,19,23,24,25,26,27)/p+1.
What are the key properties of bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium?
bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium has a molecular weight of 389.44 g/mol, XLogP of -5.88, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)amino]ethyl]-[2-[bis(2-amino-2-oxoethyl)amino]ethyl]azanium is sourced from PubChem (CID 91317481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).