2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide

C12H25IN4O2 — CID 120661115

IUPAC2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(=O)NC(C)(C)C)CCO1.I
InChIInChI=1S/C12H24N4O2.HI/c1-9-8-16(5-6-18-9)11(13)14-7-10(17)15-12(2,3)4;/h9H,5-8H2,1-4H3,(H2,13,14)(H,15,17);1H
InChIKeyBRPCHPNBXZDHLC-UHFFFAOYSA-N
MW384.26 g/mol
LogP0.55
Rot. Bonds2

About 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide

2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide (PubChem CID 120661115) has the molecular formula C12H25IN4O2 and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
PubChem CID120661115
Molecular FormulaC12H25IN4O2
Molecular Weight384.26 g/mol
Exact Mass384.10
IUPAC Name2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(=O)NC(C)(C)C)CCO1.I
InChIInChI=1S/C12H24N4O2.HI/c1-9-8-16(5-6-18-9)11(13)14-7-10(17)15-12(2,3)4;/h9H,5-8H2,1-4H3,(H2,13,14)(H,15,17);1H
InChIKeyBRPCHPNBXZDHLC-UHFFFAOYSA-N
XLogP0.55
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
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

2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663326
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
CID 120661307

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide (CID 120661115) is 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide is CC1CN(/C(N)=N/CC(=O)NC(C)(C)C)CCO1.I.
What is the InChIKey of 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
The InChIKey is BRPCHPNBXZDHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2.HI/c1-9-8-16(5-6-18-9)11(13)14-7-10(17)15-12(2,3)4;/h9H,5-8H2,1-4H3,(H2,13,14)(H,15,17);1H.
What are the key properties of 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide?
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide has a molecular weight of 384.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide is sourced from PubChem (CID 120661115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).