N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide

C10H22N4O — CID 162769151

IUPACN-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
SMILESCC(=O)NCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H22N4O/c1-8(15)12-6-5-7-13-9(11)14-10(2,3)4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14)
InChIKeyRYMXAVWTOGFZMU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds4

About N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide

N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide (PubChem CID 162769151) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
PubChem CID162769151
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
SMILESCC(=O)NCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H22N4O/c1-8(15)12-6-5-7-13-9(11)14-10(2,3)4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14)
InChIKeyRYMXAVWTOGFZMU-UHFFFAOYSA-N
XLogP0.22
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
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-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide?
The IUPAC name of N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide (CID 162769151) is N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide is CC(=O)NCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide?
The InChIKey is RYMXAVWTOGFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(15)12-6-5-7-13-9(11)14-10(2,3)4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14).
What are the key properties of N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide?
N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide is sourced from PubChem (CID 162769151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).