[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium

C10H24N5O+ — CID 173273785

IUPAC[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium
SMILESC[N+](C)(C)CNC(=O)/C=N/CCNCCN
InChIInChI=1S/C10H23N5O/c1-15(2,3)9-14-10(16)8-13-7-6-12-5-4-11/h8,12H,4-7,9,11H2,1-3H3/p+1/b13-8+
InChIKeyKKKLLGOFYSQGEZ-MDWZMJQESA-O
MW230.34 g/mol
LogP-1.61
Rot. Bonds8

About [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium

[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium (PubChem CID 173273785) has the molecular formula C10H24N5O+ and a molecular weight of 230.34 g/mol. Its IUPAC name is [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium.

Molecular Properties

Compound Name[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium
PubChem CID173273785
Molecular FormulaC10H24N5O+
Molecular Weight230.34 g/mol
Exact Mass230.20
IUPAC Name[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium
SMILESC[N+](C)(C)CNC(=O)/C=N/CCNCCN
InChIInChI=1S/C10H23N5O/c1-15(2,3)9-14-10(16)8-13-7-6-12-5-4-11/h8,12H,4-7,9,11H2,1-3H3/p+1/b13-8+
InChIKeyKKKLLGOFYSQGEZ-MDWZMJQESA-O
XLogP-1.61
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-methylpropylideneamino)ethyl]ethane-1,2-diamine
CID 88832515
trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
CID 18730446
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide
CID 174382567
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid
CID 101181873
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028

Frequently Asked Questions

What is the IUPAC name of [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium?
The IUPAC name of [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium (CID 173273785) is [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium.
What is the SMILES notation for [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium?
The canonical SMILES for [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium is C[N+](C)(C)CNC(=O)/C=N/CCNCCN.
What is the InChIKey of [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium?
The InChIKey is KKKLLGOFYSQGEZ-MDWZMJQESA-O. The full InChI is InChI=1S/C10H23N5O/c1-15(2,3)9-14-10(16)8-13-7-6-12-5-4-11/h8,12H,4-7,9,11H2,1-3H3/p+1/b13-8+.
What are the key properties of [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium?
[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium has a molecular weight of 230.34 g/mol, XLogP of -1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium is sourced from PubChem (CID 173273785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).