tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide

C20H41N4- — CID 102390981

IUPACtert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide
SMILESCC(C)(C)/N=C/C([N-]C(C)(C)C)C(/C=N/C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C20H41N4/c1-17(2,3)21-13-15(23-19(7,8)9)16(24-20(10,11)12)14-22-18(4,5)6/h13-16,23H,1-12H3/q-1/b21-13+,22-14+
InChIKeyVXAKHAHDXZRDJB-JFMUQQRKSA-N
MW337.58 g/mol
LogP5.02
Rot. Bonds5

About tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide

tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide (PubChem CID 102390981) has the molecular formula C20H41N4- and a molecular weight of 337.58 g/mol. Its IUPAC name is tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide.

Molecular Properties

Compound Nametert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide
PubChem CID102390981
Molecular FormulaC20H41N4-
Molecular Weight337.58 g/mol
Exact Mass337.33
IUPAC Nametert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide
SMILESCC(C)(C)/N=C/C([N-]C(C)(C)C)C(/C=N/C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C20H41N4/c1-17(2,3)21-13-15(23-19(7,8)9)16(24-20(10,11)12)14-22-18(4,5)6/h13-16,23H,1-12H3/q-1/b21-13+,22-14+
InChIKeyVXAKHAHDXZRDJB-JFMUQQRKSA-N
XLogP5.02
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide?
The IUPAC name of tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide (CID 102390981) is tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide.
What is the SMILES notation for tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide?
The canonical SMILES for tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide is CC(C)(C)/N=C/C([N-]C(C)(C)C)C(/C=N/C(C)(C)C)NC(C)(C)C.
What is the InChIKey of tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide?
The InChIKey is VXAKHAHDXZRDJB-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H41N4/c1-17(2,3)21-13-15(23-19(7,8)9)16(24-20(10,11)12)14-22-18(4,5)6/h13-16,23H,1-12H3/q-1/b21-13+,22-14+.
What are the key properties of tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide?
tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide has a molecular weight of 337.58 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide is sourced from PubChem (CID 102390981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).