2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride

C7H16ClN5O2 — CID 141396645

IUPAC2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
SMILESCC/N=C(\N)C(N)C(=O)NCC(N)=O.Cl
InChIInChI=1S/C7H15N5O2.ClH/c1-2-11-6(10)5(9)7(14)12-3-4(8)13;/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14);1H
InChIKeyYMKOKDFXSMCQSG-UHFFFAOYSA-N
MW237.69 g/mol
LogP-2.29
Rot. Bonds5

About 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride

2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride (PubChem CID 141396645) has the molecular formula C7H16ClN5O2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride.

Molecular Properties

Compound Name2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
PubChem CID141396645
Molecular FormulaC7H16ClN5O2
Molecular Weight237.69 g/mol
Exact Mass237.10
IUPAC Name2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
SMILESCC/N=C(\N)C(N)C(=O)NCC(N)=O.Cl
InChIInChI=1S/C7H15N5O2.ClH/c1-2-11-6(10)5(9)7(14)12-3-4(8)13;/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14);1H
InChIKeyYMKOKDFXSMCQSG-UHFFFAOYSA-N
XLogP-2.29
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 54445418
2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
CID 59872363
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
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N'-(1-aminopropylidene)-N-propan-2-yloxamide
CID 123636944
7,8-Diamino-5-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 123945777
(2S)-2-[(2-amino-2-ethyliminoethyl)amino]propanamide
CID 144018622
2-[(2-acetamido-1-amino-3-methylbutylidene)amino]-N-propan-2-ylpropanamide
CID 177970283
N-(4-amino-1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetamide
CID 10307934
3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]-N-(2-oxopropyl)propanamide
CID 21035897
N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide
CID 24903599

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride?
The IUPAC name of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride (CID 141396645) is 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride.
What is the SMILES notation for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride?
The canonical SMILES for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride is CC/N=C(\N)C(N)C(=O)NCC(N)=O.Cl.
What is the InChIKey of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride?
The InChIKey is YMKOKDFXSMCQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2.ClH/c1-2-11-6(10)5(9)7(14)12-3-4(8)13;/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14);1H.
What are the key properties of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride?
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of -2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride is sourced from PubChem (CID 141396645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).