lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide

C13H25LiN2 — CID 101481895

IUPAClithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide
SMILESC/C(=C\C(C)=N\C(C)(C)C)[N-]C(C)(C)C.[Li+]
InChIInChI=1S/C13H25N2.Li/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;/h9H,1-8H3;/q-1;+1/b10-9+,15-11+;
InChIKeyPNJSEUNMDMSDKM-DXSMCAODSA-N
MW216.30 g/mol
LogP1.33
Rot. Bonds2

About lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide

lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide (PubChem CID 101481895) has the molecular formula C13H25LiN2 and a molecular weight of 216.30 g/mol. Its IUPAC name is lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide.

Molecular Properties

Compound Namelithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide
PubChem CID101481895
Molecular FormulaC13H25LiN2
Molecular Weight216.30 g/mol
Exact Mass216.22
IUPAC Namelithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide
SMILESC/C(=C\C(C)=N\C(C)(C)C)[N-]C(C)(C)C.[Li+]
InChIInChI=1S/C13H25N2.Li/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;/h9H,1-8H3;/q-1;+1/b10-9+,15-11+;
InChIKeyPNJSEUNMDMSDKM-DXSMCAODSA-N
XLogP1.33
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-tert-butyl-4-tert-butyliminopent-2-en-2-amine
CID 126613755
bis(tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide);manganese(2+)
CID 162410087
(E)-N-tert-butyl-4-tert-butyliminopent-2-en-2-amine
CID 13810402
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
N-tert-butyl-4-methyliminopent-2-en-2-amine
CID 58104803
(Z)-N-tert-butyl-4-methyliminopent-2-en-2-amine
CID 59815947
(4E)-N-tert-Butyl-4-(tert-butylimino)pent-2-en-2-amine
CID 71334677
4-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 89299679
2,3,5,5,7-Pentamethyl-1,4-diazepine
CID 90891375
4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
CID 134339056
N-(3,3-dimethylbut-1-en-2-yl)-4-methylpent-3-en-2-imine
CID 135126908
N-[(2Z,5E)-hepta-2,5-dien-2-yl]but-3-en-2-imine
CID 138509472

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide?
The IUPAC name of lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide (CID 101481895) is lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide.
What is the SMILES notation for lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide?
The canonical SMILES for lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide is C/C(=C\C(C)=N\C(C)(C)C)[N-]C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide?
The InChIKey is PNJSEUNMDMSDKM-DXSMCAODSA-N. The full InChI is InChI=1S/C13H25N2.Li/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;/h9H,1-8H3;/q-1;+1/b10-9+,15-11+;.
What are the key properties of lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide?
lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide has a molecular weight of 216.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide is sourced from PubChem (CID 101481895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).