(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride

C10H18ClN3 — CID 170188308

IUPAC(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)/C(=N/C)NC(C)(C)C
InChIInChI=1S/C10H18ClN3/c1-7(6-8(11)12)9(13-5)14-10(2,3)4/h6,12H,1-5H3,(H,13,14)/b7-6+,12-8-
InChIKeyGUAWLVXIYROFNH-KWUPLBGHSA-N
MW215.73 g/mol
LogP2.57
Rot. Bonds2

About (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride

(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride (PubChem CID 170188308) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride
PubChem CID170188308
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)/C(=N/C)NC(C)(C)C
InChIInChI=1S/C10H18ClN3/c1-7(6-8(11)12)9(13-5)14-10(2,3)4/h6,12H,1-5H3,(H,13,14)/b7-6+,12-8-
InChIKeyGUAWLVXIYROFNH-KWUPLBGHSA-N
XLogP2.57
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride?
The IUPAC name of (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride (CID 170188308) is (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride.
What is the SMILES notation for (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride?
The canonical SMILES for (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(C)/C(=N/C)NC(C)(C)C.
What is the InChIKey of (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride?
The InChIKey is GUAWLVXIYROFNH-KWUPLBGHSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-7(6-8(11)12)9(13-5)14-10(2,3)4/h6,12H,1-5H3,(H,13,14)/b7-6+,12-8-.
What are the key properties of (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride?
(E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride has a molecular weight of 215.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(tert-butylamino)-3-methyl-4-methyliminobut-2-enimidoyl chloride is sourced from PubChem (CID 170188308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).