N-tert-butyliminoformamide

C5H10N2O — CID 91504950

IUPACN-tert-butyliminoformamide
SMILESCC(C)(C)/N=N/C=O
InChIInChI=1S/C5H10N2O/c1-5(2,3)7-6-4-8/h4H,1-3H3/b7-6+
InChIKeyTYXHFPMJZWJODN-VOTSOKGWSA-N
MW114.15 g/mol
LogP1.39
Rot. Bonds1

About N-tert-butyliminoformamide

N-tert-butyliminoformamide (PubChem CID 91504950) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-tert-butyliminoformamide.

Molecular Properties

Compound NameN-tert-butyliminoformamide
PubChem CID91504950
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-tert-butyliminoformamide
SMILESCC(C)(C)/N=N/C=O
InChIInChI=1S/C5H10N2O/c1-5(2,3)7-6-4-8/h4H,1-3H3/b7-6+
InChIKeyTYXHFPMJZWJODN-VOTSOKGWSA-N
XLogP1.39
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyliminoformamide?
The IUPAC name of N-tert-butyliminoformamide (CID 91504950) is N-tert-butyliminoformamide.
What is the SMILES notation for N-tert-butyliminoformamide?
The canonical SMILES for N-tert-butyliminoformamide is CC(C)(C)/N=N/C=O.
What is the InChIKey of N-tert-butyliminoformamide?
The InChIKey is TYXHFPMJZWJODN-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(2,3)7-6-4-8/h4H,1-3H3/b7-6+.
What are the key properties of N-tert-butyliminoformamide?
N-tert-butyliminoformamide has a molecular weight of 114.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyliminoformamide is sourced from PubChem (CID 91504950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).