2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C13H27IN4O2 — CID 111090902

IUPAC2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(=O)NC1CCCCC1.I
InChIInChI=1S/C13H26N4O2.HI/c1-10(9-19-2)16-13(14)15-8-12(18)17-11-6-4-3-5-7-11;/h10-11H,3-9H2,1-2H3,(H,17,18)(H3,14,15,16);1H
InChIKeyKLABSCVKWHRDEL-UHFFFAOYSA-N
MW398.29 g/mol
LogP0.99
Rot. Bonds6

About 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 111090902) has the molecular formula C13H27IN4O2 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID111090902
Molecular FormulaC13H27IN4O2
Molecular Weight398.29 g/mol
Exact Mass398.12
IUPAC Name2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(=O)NC1CCCCC1.I
InChIInChI=1S/C13H26N4O2.HI/c1-10(9-19-2)16-13(14)15-8-12(18)17-11-6-4-3-5-7-11;/h10-11H,3-9H2,1-2H3,(H,17,18)(H3,14,15,16);1H
InChIKeyKLABSCVKWHRDEL-UHFFFAOYSA-N
XLogP0.99
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 50.99
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

2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 51894478
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606171
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090889
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 111090902) is 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is COCC(C)N/C(N)=N/CC(=O)NC1CCCCC1.I.
What is the InChIKey of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is KLABSCVKWHRDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.HI/c1-10(9-19-2)16-13(14)15-8-12(18)17-11-6-4-3-5-7-11;/h10-11H,3-9H2,1-2H3,(H,17,18)(H3,14,15,16);1H.
What are the key properties of 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 398.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 111090902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).