N,N'-ditert-butylmethanimidamide

C9H20N2 — CID 59892021

IUPACN,N'-ditert-butylmethanimidamide
SMILESCC(C)(C)/N=C/NC(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3,(H,10,11)
InChIKeyCODJLAPIAZVTHC-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.20
Rot. Bonds1

About N,N'-ditert-butylmethanimidamide

N,N'-ditert-butylmethanimidamide (PubChem CID 59892021) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N'-ditert-butylmethanimidamide.

Molecular Properties

Compound NameN,N'-ditert-butylmethanimidamide
PubChem CID59892021
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N'-ditert-butylmethanimidamide
SMILESCC(C)(C)/N=C/NC(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3,(H,10,11)
InChIKeyCODJLAPIAZVTHC-UHFFFAOYSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butylmethanimidamide?
The IUPAC name of N,N'-ditert-butylmethanimidamide (CID 59892021) is N,N'-ditert-butylmethanimidamide.
What is the SMILES notation for N,N'-ditert-butylmethanimidamide?
The canonical SMILES for N,N'-ditert-butylmethanimidamide is CC(C)(C)/N=C/NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylmethanimidamide?
The InChIKey is CODJLAPIAZVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3,(H,10,11).
What are the key properties of N,N'-ditert-butylmethanimidamide?
N,N'-ditert-butylmethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylmethanimidamide is sourced from PubChem (CID 59892021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).