1-(2-aminoethyl)imidazolidine-2-carbaldehyde

C6H13N3O — CID 174451006

IUPAC1-(2-aminoethyl)imidazolidine-2-carbaldehyde
SMILESNCCN1CCNC1C=O
InChIInChI=1S/C6H13N3O/c7-1-3-9-4-2-8-6(9)5-10/h5-6,8H,1-4,7H2
InChIKeyLUPOVELENONETO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.62
Rot. Bonds3

About 1-(2-aminoethyl)imidazolidine-2-carbaldehyde

1-(2-aminoethyl)imidazolidine-2-carbaldehyde (PubChem CID 174451006) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)imidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-aminoethyl)imidazolidine-2-carbaldehyde
PubChem CID174451006
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-(2-aminoethyl)imidazolidine-2-carbaldehyde
SMILESNCCN1CCNC1C=O
InChIInChI=1S/C6H13N3O/c7-1-3-9-4-2-8-6(9)5-10/h5-6,8H,1-4,7H2
InChIKeyLUPOVELENONETO-UHFFFAOYSA-N
XLogP-1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde
CID 174586256
[acetyl-[2-(2-formylimidazolidin-1-yl)ethyl]amino] prop-2-enoate
CID 174554164
2-(2-phenylimidazolidin-1-yl)ethanamine
CID 157175251
heptadecyl 2-[1-(2-aminoethyl)imidazolidin-2-yl]acetate
CID 54081855
2-(2-aminoethyl)diazetidine-3-carbaldehyde
CID 129289752
N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 10888935
1-(2-fluoroethyl)azetidine-2-carbaldehyde
CID 175419767
1,2-dimethylimidazolidine;formamide
CID 175059210
formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
CID 174841555
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
1-methylpiperazine-2-carbaldehyde;hydrochloride
CID 172770261
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)imidazolidine-2-carbaldehyde?
The IUPAC name of 1-(2-aminoethyl)imidazolidine-2-carbaldehyde (CID 174451006) is 1-(2-aminoethyl)imidazolidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-aminoethyl)imidazolidine-2-carbaldehyde?
The canonical SMILES for 1-(2-aminoethyl)imidazolidine-2-carbaldehyde is NCCN1CCNC1C=O.
What is the InChIKey of 1-(2-aminoethyl)imidazolidine-2-carbaldehyde?
The InChIKey is LUPOVELENONETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-1-3-9-4-2-8-6(9)5-10/h5-6,8H,1-4,7H2.
What are the key properties of 1-(2-aminoethyl)imidazolidine-2-carbaldehyde?
1-(2-aminoethyl)imidazolidine-2-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)imidazolidine-2-carbaldehyde is sourced from PubChem (CID 174451006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).