3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide

C11H23IN4O2 — CID 111043465

IUPAC3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCC(C)NC(=O)CC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H22N4O2.HI/c1-9(2)14-10(16)3-4-13-11(12)15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3,(H2,12,13)(H,14,16);1H
InChIKeyVHZFKPMKNOIGDJ-UHFFFAOYSA-N
MW370.24 g/mol
LogP0.17
Rot. Bonds4

About 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide

3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide (PubChem CID 111043465) has the molecular formula C11H23IN4O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
PubChem CID111043465
Molecular FormulaC11H23IN4O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC Name3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
SMILESCC(C)NC(=O)CC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H22N4O2.HI/c1-9(2)14-10(16)3-4-13-11(12)15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3,(H2,12,13)(H,14,16);1H
InChIKeyVHZFKPMKNOIGDJ-UHFFFAOYSA-N
XLogP0.17
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 50.17
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

propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111093042
1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
CID 120663315
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide (CID 111043465) is 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide is CC(C)NC(=O)CC/N=C(\N)N1CCOCC1.I.
What is the InChIKey of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
The InChIKey is VHZFKPMKNOIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.HI/c1-9(2)14-10(16)3-4-13-11(12)15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3,(H2,12,13)(H,14,16);1H.
What are the key properties of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide?
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide has a molecular weight of 370.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide is sourced from PubChem (CID 111043465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).