1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde

C8H18N4O — CID 174586256

IUPAC1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde
SMILESNCCNCCN1CCNC1C=O
InChIInChI=1S/C8H18N4O/c9-1-2-10-3-5-12-6-4-11-8(12)7-13/h7-8,10-11H,1-6,9H2
InChIKeyXJGPDVFWBRGTEG-UHFFFAOYSA-N
MW186.26 g/mol
LogP-2.04
Rot. Bonds6

About 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde

1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde (PubChem CID 174586256) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde
PubChem CID174586256
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde
SMILESNCCNCCN1CCNC1C=O
InChIInChI=1S/C8H18N4O/c9-1-2-10-3-5-12-6-4-11-8(12)7-13/h7-8,10-11H,1-6,9H2
InChIKeyXJGPDVFWBRGTEG-UHFFFAOYSA-N
XLogP-2.04
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)imidazolidine-2-carbaldehyde
CID 174451006
N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 10888935
[acetyl-[2-(2-formylimidazolidin-1-yl)ethyl]amino] prop-2-enoate
CID 174554164
N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
CID 121459092
N'-(2-aminoethyl)ethane-1,2-diamine;1,6-bis(aziridin-1-yl)hexane-1,6-dione
CID 175369374
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
CID 67423531
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde (CID 174586256) is 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde is NCCNCCN1CCNC1C=O.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde?
The InChIKey is XJGPDVFWBRGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-1-2-10-3-5-12-6-4-11-8(12)7-13/h7-8,10-11H,1-6,9H2.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde?
1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde has a molecular weight of 186.26 g/mol, XLogP of -2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde is sourced from PubChem (CID 174586256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).