N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide

C11H24N4O — CID 162769149

IUPACN-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide
SMILESCC(=O)NCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-9(16)13-7-5-6-8-14-10(12)15-11(2,3)4/h5-8H2,1-4H3,(H,13,16)(H3,12,14,15)
InChIKeyPAJPTOURXIULOA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide

N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide (PubChem CID 162769149) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide
PubChem CID162769149
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide
SMILESCC(=O)NCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-9(16)13-7-5-6-8-14-10(12)15-11(2,3)4/h5-8H2,1-4H3,(H,13,16)(H3,12,14,15)
InChIKeyPAJPTOURXIULOA-UHFFFAOYSA-N
XLogP0.61
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
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'}

Analyze N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diaminomethylidenecarbamoylamino)butyl]-N-methylacetamide
CID 14731319
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
N-ethyl-4-(ethylamino)-4-(methyliminomethylamino)butanamide
CID 90245920
2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide
CID 162769148
N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
CID 162769151
N-[6-[[amino-(tert-butylamino)methylidene]amino]hexyl]acetamide
CID 162769157
N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide
CID 162769164
N-[1-amino-4-(diaminomethylideneamino)butyl]acetamide
CID 166919968
3-[[Amino-[[4-[3-[[amino-[(4-amino-2-methylbutan-2-yl)amino]methylidene]amino]propanoylamino]-2-methylbutan-2-yl]amino]methylidene]amino]propanamide
CID 169260828
3-[[amino-(butan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53541625
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 53573589

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide?
The IUPAC name of N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide (CID 162769149) is N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide.
What is the SMILES notation for N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide?
The canonical SMILES for N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide is CC(=O)NCCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide?
The InChIKey is PAJPTOURXIULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(16)13-7-5-6-8-14-10(12)15-11(2,3)4/h5-8H2,1-4H3,(H,13,16)(H3,12,14,15).
What are the key properties of N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide?
N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide is sourced from PubChem (CID 162769149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).