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

C12H25N5O2 — CID 104888226

IUPAC2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
SMILESCCOCCC/N=C(\NN)NC(C)C(=O)NC1CC1
InChIInChI=1S/C12H25N5O2/c1-3-19-8-4-7-14-12(17-13)15-9(2)11(18)16-10-5-6-10/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H2,14,15,17)
InChIKeyKADJUFQHEHGQGN-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.51
Rot. Bonds8

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

2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide (PubChem CID 104888226) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
PubChem CID104888226
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
SMILESCCOCCC/N=C(\NN)NC(C)C(=O)NC1CC1
InChIInChI=1S/C12H25N5O2/c1-3-19-8-4-7-14-12(17-13)15-9(2)11(18)16-10-5-6-10/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H2,14,15,17)
InChIKeyKADJUFQHEHGQGN-UHFFFAOYSA-N
XLogP-0.51
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.51
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'}

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Related Compounds

2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 104885638
1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
CID 104884008
1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
CID 104886733
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
CID 104889055
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
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-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
CID 104886859
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propan-2-ylguanidine
CID 104885483

Frequently Asked Questions

What is the IUPAC name of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide (CID 104888226) is 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide is CCOCCC/N=C(\NN)NC(C)C(=O)NC1CC1.
What is the InChIKey of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide?
The InChIKey is KADJUFQHEHGQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-3-19-8-4-7-14-12(17-13)15-9(2)11(18)16-10-5-6-10/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H2,14,15,17).
What are the key properties of 2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide?
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide has a molecular weight of 271.36 g/mol, XLogP of -0.51, 8 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-cyclopropylpropanamide is sourced from PubChem (CID 104888226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).