2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide

C13H25N3O — CID 113293325

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)16-11(17)9-15-12(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeySUOPZRKGBXAYKD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds3

About 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide

2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide (PubChem CID 113293325) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
PubChem CID113293325
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(2,3)16-11(17)9-15-12(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeySUOPZRKGBXAYKD-UHFFFAOYSA-N
XLogP1.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
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

2-cyclohexyl-3,5-dihydro-4H-imidazol-4-one
CID 67131672
N-[amino-[1-(methylamino)cyclohexyl]methylidene]acetamide
CID 144063050
2-cyclohexyl-4,4-diethyl-1H-imidazol-5-one
CID 144081678
4-amino-N-butyl-1,3-diazaspiro[4.5]deca-1,3-diene-2-carboxamide
CID 13463998
2-[[Amino(cyclohexyl)methylidene]amino]acetamide
CID 63173868
2-[[amino(cyclohexyl)methylidene]amino]-N-propylacetamide
CID 63175478
2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175603
2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide
CID 63175714
N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide
CID 63175783
2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide
CID 63175829
2-[[Amino(cyclohexyl)methylidene]amino]propanamide
CID 63176092
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
CID 63176099

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide (CID 113293325) is 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is SUOPZRKGBXAYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)16-11(17)9-15-12(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 239.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).