N-tert-butyl-N-cyclohexyl-2-diazoacetamide

C12H21N3O — CID 141062605

IUPACN-tert-butyl-N-cyclohexyl-2-diazoacetamide
SMILESCC(C)(C)N(C(=O)C=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-12(2,3)15(11(16)9-14-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyRJBMLSBCWGJGTN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds2

About N-tert-butyl-N-cyclohexyl-2-diazoacetamide

N-tert-butyl-N-cyclohexyl-2-diazoacetamide (PubChem CID 141062605) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-tert-butyl-N-cyclohexyl-2-diazoacetamide.

Molecular Properties

Compound NameN-tert-butyl-N-cyclohexyl-2-diazoacetamide
PubChem CID141062605
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-tert-butyl-N-cyclohexyl-2-diazoacetamide
SMILESCC(C)(C)N(C(=O)C=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-12(2,3)15(11(16)9-14-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyRJBMLSBCWGJGTN-UHFFFAOYSA-N
XLogP2.25
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-{[Bis(trimethylsilyl)methyl](cyclohexyl)amino}-2-diazonioethen-1-olate
CID 71361556
N-butyl-N-tert-butyl-2-diazoacetamide
CID 85681487
1-[tert-Butyl(cyclohexylmethyl)amino]-2-diazonioethen-1-olate
CID 71377493
2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 135404219

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-cyclohexyl-2-diazoacetamide?
The IUPAC name of N-tert-butyl-N-cyclohexyl-2-diazoacetamide (CID 141062605) is N-tert-butyl-N-cyclohexyl-2-diazoacetamide.
What is the SMILES notation for N-tert-butyl-N-cyclohexyl-2-diazoacetamide?
The canonical SMILES for N-tert-butyl-N-cyclohexyl-2-diazoacetamide is CC(C)(C)N(C(=O)C=[N+]=[N-])C1CCCCC1.
What is the InChIKey of N-tert-butyl-N-cyclohexyl-2-diazoacetamide?
The InChIKey is RJBMLSBCWGJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)15(11(16)9-14-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-tert-butyl-N-cyclohexyl-2-diazoacetamide?
N-tert-butyl-N-cyclohexyl-2-diazoacetamide has a molecular weight of 223.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-cyclohexyl-2-diazoacetamide is sourced from PubChem (CID 141062605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).