ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide

C12H25IN4O2 — CID 111812432

IUPACethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
SMILESCCCN/C(N)=N/CC(NC(=O)OCC)C1CC1.I
InChIInChI=1S/C12H24N4O2.HI/c1-3-7-14-11(13)15-8-10(9-5-6-9)16-12(17)18-4-2;/h9-10H,3-8H2,1-2H3,(H,16,17)(H3,13,14,15);1H
InChIKeyLURFWGOLLYWVFX-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.44
Rot. Bonds7

About ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide

ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide (PubChem CID 111812432) has the molecular formula C12H25IN4O2 and a molecular weight of 384.26 g/mol. Its IUPAC name is ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide.

Molecular Properties

Compound Nameethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
PubChem CID111812432
Molecular FormulaC12H25IN4O2
Molecular Weight384.26 g/mol
Exact Mass384.10
IUPAC Nameethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
SMILESCCCN/C(N)=N/CC(NC(=O)OCC)C1CC1.I
InChIInChI=1S/C12H24N4O2.HI/c1-3-7-14-11(13)15-8-10(9-5-6-9)16-12(17)18-4-2;/h9-10H,3-8H2,1-2H3,(H,16,17)(H3,13,14,15);1H
InChIKeyLURFWGOLLYWVFX-UHFFFAOYSA-N
XLogP1.44
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The IUPAC name of ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide (CID 111812432) is ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide.
What is the SMILES notation for ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The canonical SMILES for ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide is CCCN/C(N)=N/CC(NC(=O)OCC)C1CC1.I.
What is the InChIKey of ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The InChIKey is LURFWGOLLYWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2.HI/c1-3-7-14-11(13)15-8-10(9-5-6-9)16-12(17)18-4-2;/h9-10H,3-8H2,1-2H3,(H,16,17)(H3,13,14,15);1H.
What are the key properties of ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide has a molecular weight of 384.26 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide is sourced from PubChem (CID 111812432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).