2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide

C12H27N5O2 — CID 104885638

IUPAC2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N/C(=N/CCCOCC)NN
InChIInChI=1S/C12H27N5O2/c1-4-7-14-11(18)10(3)16-12(17-13)15-8-6-9-19-5-2/h10H,4-9,13H2,1-3H3,(H,14,18)(H2,15,16,17)
InChIKeyWXJIMPOIODNUMK-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.26
Rot. Bonds9

About 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide

2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide (PubChem CID 104885638) has the molecular formula C12H27N5O2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
PubChem CID104885638
Molecular FormulaC12H27N5O2
Molecular Weight273.38 g/mol
Exact Mass273.22
IUPAC Name2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N/C(=N/CCCOCC)NN
InChIInChI=1S/C12H27N5O2/c1-4-7-14-11(18)10(3)16-12(17-13)15-8-6-9-19-5-2/h10H,4-9,13H2,1-3H3,(H,14,18)(H2,15,16,17)
InChIKeyWXJIMPOIODNUMK-UHFFFAOYSA-N
XLogP-0.26
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide 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

2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
CID 104888226
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-2-(3-ethoxypropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 116514487
3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
CID 111224067
1-amino-3-[1-(4-bromophenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 116514349
1-amino-2-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)ethyl]guanidine
CID 116513978
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
CID 104889055
1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
CID 104884008
2-[(N-amino-N'-butylcarbamimidoyl)amino]-N,N-diethylpropanamide
CID 104888281
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681

Frequently Asked Questions

What is the IUPAC name of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide (CID 104885638) is 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N/C(=N/CCCOCC)NN.
What is the InChIKey of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide?
The InChIKey is WXJIMPOIODNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O2/c1-4-7-14-11(18)10(3)16-12(17-13)15-8-6-9-19-5-2/h10H,4-9,13H2,1-3H3,(H,14,18)(H2,15,16,17).
What are the key properties of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide?
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide has a molecular weight of 273.38 g/mol, XLogP of -0.26, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 104885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).