N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide

C12H24N4O2 — CID 111894403

IUPACN-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCOCC
InChIInChI=1S/C12H24N4O2/c1-3-13-12(14-7-8-18-4-2)15-9-11(17)16-10-5-6-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyUSZQJKUTQYMATO-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.14
Rot. Bonds8

About N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide

N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide (PubChem CID 111894403) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
PubChem CID111894403
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCOCC
InChIInChI=1S/C12H24N4O2/c1-3-13-12(14-7-8-18-4-2)15-9-11(17)16-10-5-6-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyUSZQJKUTQYMATO-UHFFFAOYSA-N
XLogP-0.14
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111970749
N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide
CID 109464460
tert-butyl N-[3-[[N'-[2-(cyclopropylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885938
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
4-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111694062
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[(cyclopentylamino)-(2-ethoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842470
N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111895894
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111649430
1-(2-ethoxyethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111895625

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide (CID 111894403) is N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCCOCC.
What is the InChIKey of N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide?
The InChIKey is USZQJKUTQYMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-13-12(14-7-8-18-4-2)15-9-11(17)16-10-5-6-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,13,14,15).
What are the key properties of N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide?
N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111894403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).