N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine

C20H40N2 — CID 126613754

IUPACN-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine
SMILESCC(=C(NC(C)(C)C)C(C)(C)C)/C(=N/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H40N2/c1-14(15(17(2,3)4)21-19(8,9)10)16(18(5,6)7)22-20(11,12)13/h21H,1-13H3/b15-14?,22-16-
InChIKeyPMOWEZNTEXLEIJ-ACNFXJFYSA-N
MW308.55 g/mol
LogP5.98
Rot. Bonds2

About N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine

N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine (PubChem CID 126613754) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine
PubChem CID126613754
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine
SMILESCC(=C(NC(C)(C)C)C(C)(C)C)/C(=N/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H40N2/c1-14(15(17(2,3)4)21-19(8,9)10)16(18(5,6)7)22-20(11,12)13/h21H,1-13H3/b15-14?,22-16-
InChIKeyPMOWEZNTEXLEIJ-ACNFXJFYSA-N
XLogP5.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine?
The IUPAC name of N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine (CID 126613754) is N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine.
What is the SMILES notation for N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine?
The canonical SMILES for N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine is CC(=C(NC(C)(C)C)C(C)(C)C)/C(=N/C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine?
The InChIKey is PMOWEZNTEXLEIJ-ACNFXJFYSA-N. The full InChI is InChI=1S/C20H40N2/c1-14(15(17(2,3)4)21-19(8,9)10)16(18(5,6)7)22-20(11,12)13/h21H,1-13H3/b15-14?,22-16-.
What are the key properties of N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine?
N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine has a molecular weight of 308.55 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-tert-butylimino-2,2,4,6,6-pentamethylhept-3-en-3-amine is sourced from PubChem (CID 126613754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).