N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide

C13H28N4O — CID 162769157

IUPACN-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide
SMILESCC(=O)NCCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C13H28N4O/c1-11(18)15-9-7-5-6-8-10-16-12(14)17-13(2,3)4/h5-10H2,1-4H3,(H,15,18)(H3,14,16,17)
InChIKeyXKVOJKATKKTMSX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds7

About N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide

N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide (PubChem CID 162769157) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide
PubChem CID162769157
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide
SMILESCC(=O)NCCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C13H28N4O/c1-11(18)15-9-7-5-6-8-10-16-12(14)17-13(2,3)4/h5-10H2,1-4H3,(H,15,18)(H3,14,16,17)
InChIKeyXKVOJKATKKTMSX-UHFFFAOYSA-N
XLogP1.39
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(diaminomethylideneamino)hexyl]acetamide
CID 23195109
N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
CID 23590357
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]acetamide
CID 62364847
1-[5-[(N'-methylcarbamimidoyl)amino]hexan-2-yl]-3-propan-2-ylurea
CID 139459321
N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide
CID 162769149
N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
CID 162769151
6-acetamido-N-(N'-tert-butylcarbamimidoyl)hexanamide
CID 162769158
N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide
CID 162769164
N-[(1S,3S)-3-[(N'-methylcarbamimidoyl)amino]cyclopentyl]acetamide
CID 169234762
N-[4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]acetamide
CID 172589897
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 53573589
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide
CID 53573590

Frequently Asked Questions

What is the IUPAC name of N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide?
The IUPAC name of N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide (CID 162769157) is N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide.
What is the SMILES notation for N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide?
The canonical SMILES for N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide is CC(=O)NCCCCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide?
The InChIKey is XKVOJKATKKTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(18)15-9-7-5-6-8-10-16-12(14)17-13(2,3)4/h5-10H2,1-4H3,(H,15,18)(H3,14,16,17).
What are the key properties of N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide?
N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide is sourced from PubChem (CID 162769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).