N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide

C13H25N5O — CID 169436852

IUPACN-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C13H25N5O/c1-13(2,3)11(19)16-8-6-4-5-7-9-17-12(15)18-10-14/h4-9H2,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyABBMDROOWQCANU-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.09
Rot. Bonds7

About N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide

N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide (PubChem CID 169436852) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
PubChem CID169436852
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C13H25N5O/c1-13(2,3)11(19)16-8-6-4-5-7-9-17-12(15)18-10-14/h4-9H2,1-3H3,(H,16,19)(H3,15,17,18)
InChIKeyABBMDROOWQCANU-UHFFFAOYSA-N
XLogP1.09
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
CID 176517039
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
CID 176680168
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
(1E)-1-[amino-[6-[[amino-[(E)-[amino-(cyanoamino)methylidene]amino]methylidene]amino]hexylamino]methylidene]-2-isocyanoguanidine
CID 176525520
1-cyano-2-(4-sulfanylidenebutyl)guanidine
CID 22712754
1-cyano-2-(3-ethoxypropyl)guanidine
CID 54397686
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094977
tert-butyl N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110026948
N-[6-[[amino-(cyanoamino)methylidene]amino]-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide
CID 155128789

Frequently Asked Questions

What is the IUPAC name of N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide (CID 169436852) is N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCCCC/N=C(\N)NC#N.
What is the InChIKey of N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide?
The InChIKey is ABBMDROOWQCANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,3)11(19)16-8-6-4-5-7-9-17-12(15)18-10-14/h4-9H2,1-3H3,(H,16,19)(H3,15,17,18).
What are the key properties of N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide?
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 169436852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).