N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide

C12H26N4O — CID 162769164

IUPACN-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide
SMILESCC(=O)NCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C12H26N4O/c1-10(17)14-8-6-5-7-9-15-11(13)16-12(2,3)4/h5-9H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyZAXVQZHUUMGVEW-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.00
Rot. Bonds6

About N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide

N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide (PubChem CID 162769164) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide
PubChem CID162769164
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide
SMILESCC(=O)NCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C12H26N4O/c1-10(17)14-8-6-5-7-9-15-11(13)16-12(2,3)4/h5-9H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyZAXVQZHUUMGVEW-UHFFFAOYSA-N
XLogP1.00
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide?
The IUPAC name of N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide (CID 162769164) is N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide.
What is the SMILES notation for N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide?
The canonical SMILES for N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide is CC(=O)NCCCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide?
The InChIKey is ZAXVQZHUUMGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(17)14-8-6-5-7-9-15-11(13)16-12(2,3)4/h5-9H2,1-4H3,(H,14,17)(H3,13,15,16).
What are the key properties of N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide?
N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide has a molecular weight of 242.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[amino-(tert-butylamino)methylidene]amino]pentyl]acetamide is sourced from PubChem (CID 162769164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).