1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

C15H29IN4O — CID 119147730

IUPAC1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
SMILESCN(C)C(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1.I
InChIInChI=1S/C15H28N4O.HI/c1-19(2)13(20)15(9-5-6-10-15)11-17-14(16)18-12-7-3-4-8-12;/h12H,3-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyIOYNYLBFQUAOLU-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.10
Rot. Bonds4

About 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (PubChem CID 119147730) has the molecular formula C15H29IN4O and a molecular weight of 408.33 g/mol. Its IUPAC name is 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
PubChem CID119147730
Molecular FormulaC15H29IN4O
Molecular Weight408.33 g/mol
Exact Mass408.14
IUPAC Name1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
SMILESCN(C)C(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1.I
InChIInChI=1S/C15H28N4O.HI/c1-19(2)13(20)15(9-5-6-10-15)11-17-14(16)18-12-7-3-4-8-12;/h12H,3-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyIOYNYLBFQUAOLU-UHFFFAOYSA-N
XLogP2.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812074
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111123564
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527

Frequently Asked Questions

What is the IUPAC name of 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (CID 119147730) is 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is CN(C)C(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1.I.
What is the InChIKey of 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The InChIKey is IOYNYLBFQUAOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.HI/c1-19(2)13(20)15(9-5-6-10-15)11-17-14(16)18-12-7-3-4-8-12;/h12H,3-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide has a molecular weight of 408.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 119147730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).