N,N-ditert-butylformamide

C9H19NO — CID 10898954

IUPACN,N-ditert-butylformamide
SMILESCC(C)(C)N(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)10(7-11)9(4,5)6/h7H,1-6H3
InChIKeySJFMZPKVBPIQBV-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds1

About N,N-ditert-butylformamide

N,N-ditert-butylformamide (PubChem CID 10898954) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-ditert-butylformamide.

Molecular Properties

Compound NameN,N-ditert-butylformamide
PubChem CID10898954
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-ditert-butylformamide
SMILESCC(C)(C)N(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)10(7-11)9(4,5)6/h7H,1-6H3
InChIKeySJFMZPKVBPIQBV-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Formamide, N-(tert-butyl)-N-methyl-
CID 45714
N-tert-butyl-N-propylformamide
CID 54077144
N-butan-2-yl-N-tert-butylformamide
CID 18974784
Tert-butyl-formyl-dimethylazanium
CID 19367975
N,N-bis(2-methylbutan-2-yl)formamide
CID 22149162
N-tert-butyl-N-propan-2-ylformamide
CID 23297526
N-butyl-N-tert-butylformamide
CID 44719400
N-tert-butyl-N-ethylformamide
CID 54396021
N-tert-butyl-N-(2-methylpropyl)formamide
CID 54452563
N-ethyl-N-(2-methylbutan-2-yl)formamide
CID 54570762
N,N-bis(2-methylpentan-2-yl)formamide
CID 57421707
N,N-bis(2,3-dimethylbutan-2-yl)formamide
CID 57421713

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butylformamide?
The IUPAC name of N,N-ditert-butylformamide (CID 10898954) is N,N-ditert-butylformamide.
What is the SMILES notation for N,N-ditert-butylformamide?
The canonical SMILES for N,N-ditert-butylformamide is CC(C)(C)N(C=O)C(C)(C)C.
What is the InChIKey of N,N-ditert-butylformamide?
The InChIKey is SJFMZPKVBPIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)10(7-11)9(4,5)6/h7H,1-6H3.
What are the key properties of N,N-ditert-butylformamide?
N,N-ditert-butylformamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylformamide is sourced from PubChem (CID 10898954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).