2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide

C12H25N5O — CID 62362218

IUPAC2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide
SMILESCC(C)(C)N/C(N)=N/C1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H25N5O/c1-12(2,3)16-11(14)15-9-4-6-17(7-5-9)8-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H3,14,15,16)
InChIKeyIFAWGEHLHPQEDU-UHFFFAOYSA-N
MW255.37 g/mol
LogP-0.36
Rot. Bonds3

About 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide

2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide (PubChem CID 62362218) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide
PubChem CID62362218
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide
SMILESCC(C)(C)N/C(N)=N/C1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H25N5O/c1-12(2,3)16-11(14)15-9-4-6-17(7-5-9)8-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H3,14,15,16)
InChIKeyIFAWGEHLHPQEDU-UHFFFAOYSA-N
XLogP-0.36
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide (CID 62362218) is 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide is CC(C)(C)N/C(N)=N/C1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide?
The InChIKey is IFAWGEHLHPQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-12(2,3)16-11(14)15-9-4-6-17(7-5-9)8-10(13)18/h9H,4-8H2,1-3H3,(H2,13,18)(H3,14,15,16).
What are the key properties of 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide?
2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide has a molecular weight of 255.37 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[amino-(tert-butylamino)methylidene]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 62362218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).