2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

C11H23IN4O — CID 119117618

IUPAC2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCC(C)NC(=O)C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C11H22N4O.HI/c1-8(2)14-10(16)7-13-11(12)15-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,14,16)(H3,12,13,15);1H
InChIKeyXFBDKFGGWHQHIK-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.98
Rot. Bonds4

About 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (PubChem CID 119117618) has the molecular formula C11H23IN4O and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
PubChem CID119117618
Molecular FormulaC11H23IN4O
Molecular Weight354.24 g/mol
Exact Mass354.09
IUPAC Name2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCC(C)NC(=O)C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C11H22N4O.HI/c1-8(2)14-10(16)7-13-11(12)15-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,14,16)(H3,12,13,15);1H
InChIKeyXFBDKFGGWHQHIK-UHFFFAOYSA-N
XLogP0.98
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090902
2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 110913876
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
1-cyclohexyl-2-ethylguanidine
CID 18727697
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
propan-2-yl 4-[[amino-(cyclohexylamino)methylidene]amino]butanoate;hydroiodide
CID 110062086

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (CID 119117618) is 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is CC(C)NC(=O)C/N=C(\N)NC1CCCC1.I.
What is the InChIKey of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The InChIKey is XFBDKFGGWHQHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O.HI/c1-8(2)14-10(16)7-13-11(12)15-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,14,16)(H3,12,13,15);1H.
What are the key properties of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide has a molecular weight of 354.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is sourced from PubChem (CID 119117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).