3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide

C11H24N4O — CID 111043478

IUPAC3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)14-9(16)6-7-13-10(12)15-11(3,4)5/h8H,6-7H2,1-5H3,(H,14,16)(H3,12,13,15)
InChIKeyKNISCPGRJDEMTP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds4

About 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide

3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide (PubChem CID 111043478) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide
PubChem CID111043478
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)14-9(16)6-7-13-10(12)15-11(3,4)5/h8H,6-7H2,1-5H3,(H,14,16)(H3,12,13,15)
InChIKeyKNISCPGRJDEMTP-UHFFFAOYSA-N
XLogP0.60
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
3-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propan-2-ylpropanamide
CID 111043500
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111043516
3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043505
3-[[N'-(3-methylbutyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043459
methyl 7-[[amino-(tert-butylamino)methylidene]amino]heptanoate
CID 111040535
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
CID 115612309
1-tert-butyl-2-(2-methylsulfonylethyl)guanidine
CID 62362821
methyl 6-[[amino-(tert-butylamino)methylidene]amino]hexanoate;hydroiodide
CID 111029119
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide (CID 111043478) is 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide?
The InChIKey is KNISCPGRJDEMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(2)14-9(16)6-7-13-10(12)15-11(3,4)5/h8H,6-7H2,1-5H3,(H,14,16)(H3,12,13,15).
What are the key properties of 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide?
3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 111043478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).