N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide

C7H15N3 — CID 88859907

IUPACN-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide
SMILESC=N/N=C\N(C)C(C)(C)C
InChIInChI=1S/C7H15N3/c1-7(2,3)10(5)6-9-8-4/h6H,4H2,1-3,5H3/b9-6-
InChIKeyRXZYKYJWOLXCGW-TWGQIWQCSA-N
MW141.22 g/mol
LogP1.36
Rot. Bonds2

About N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide

N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide (PubChem CID 88859907) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide
PubChem CID88859907
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide
SMILESC=N/N=C\N(C)C(C)(C)C
InChIInChI=1S/C7H15N3/c1-7(2,3)10(5)6-9-8-4/h6H,4H2,1-3,5H3/b9-6-
InChIKeyRXZYKYJWOLXCGW-TWGQIWQCSA-N
XLogP1.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide?
The IUPAC name of N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide (CID 88859907) is N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide.
What is the SMILES notation for N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide?
The canonical SMILES for N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide is C=N/N=C\N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide?
The InChIKey is RXZYKYJWOLXCGW-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(2,3)10(5)6-9-8-4/h6H,4H2,1-3,5H3/b9-6-.
What are the key properties of N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide?
N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-N'-(methylideneamino)methanimidamide is sourced from PubChem (CID 88859907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).