2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide

C11H23IN4O2 — CID 110913403

IUPAC2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\N)NCC1CCCO1.I
InChIInChI=1S/C11H22N4O2.HI/c1-2-5-13-10(16)8-15-11(12)14-7-9-4-3-6-17-9;/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15);1H
InChIKeyNEELTFQYBYLHJP-UHFFFAOYSA-N
MW370.24 g/mol
LogP0.21
Rot. Bonds6

About 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide

2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 110913403) has the molecular formula C11H23IN4O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID110913403
Molecular FormulaC11H23IN4O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC Name2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\N)NCC1CCCO1.I
InChIInChI=1S/C11H22N4O2.HI/c1-2-5-13-10(16)8-15-11(12)14-7-9-4-3-6-17-9;/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15);1H
InChIKeyNEELTFQYBYLHJP-UHFFFAOYSA-N
XLogP0.21
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 50.21
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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Related Compounds

N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913513
2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119117160
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111969230
2-[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111624445
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98128026
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
3-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111136768

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide (CID 110913403) is 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\N)NCC1CCCO1.I.
What is the InChIKey of 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is NEELTFQYBYLHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.HI/c1-2-5-13-10(16)8-15-11(12)14-7-9-4-3-6-17-9;/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15);1H.
What are the key properties of 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 370.24 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 110913403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).